Zinc–bromine rechargeable batteries(ZBRBs)are one of the most powerful candidates for next-generation energy storage due to their potentially lower material cost,deep discharge capability,non-flammable electrolytes,r...Zinc–bromine rechargeable batteries(ZBRBs)are one of the most powerful candidates for next-generation energy storage due to their potentially lower material cost,deep discharge capability,non-flammable electrolytes,relatively long lifetime and good reversibility.However,many opportunities remain to improve the efficiency and stability of these batteries for long-life operation.Here,we discuss the device configurations,working mechanisms and performance evaluation of ZBRBs.Both non-flow(static)and flow-type cells are highlighted in detail in this review.The fundamental electrochemical aspects,including the key challenges and promising solutions,are discussed,with particular attention paid to zinc and bromine half-cells,as their performance plays a critical role in determining the electrochemical performance of the battery system.The following sections examine the key performance metrics of ZBRBs and assessment methods using various ex situ and in situ/operando techniques.The review concludes with insights into future developments and prospects for high-performance ZBRBs.展开更多
Br_(2)/Br^(−)is a promising redox couple in fl ow batteries because of its high potential,solubility,and low cost.However,the reaction between Br^(−)and Br_(2)only involves a single-electron transfer process,which lim...Br_(2)/Br^(−)is a promising redox couple in fl ow batteries because of its high potential,solubility,and low cost.However,the reaction between Br^(−)and Br_(2)only involves a single-electron transfer process,which limits its energy density.Herein,a novel two-electron transfer reaction based on Br^(−)/Br^(+) was studied and realized through Br^(+) intercalation into graphite to form a bromine-graphite intercalation compound(Br-GIC).Compared with the pristine Br^(−)/Br_(2)redox pair,the redox potential of Br intercalation/deintercalation in graphite is 0.5 V higher,which has the potential to substantially increase the energy density.Diff erent from Br_(2)/Br^(−)in the electrolyte,the diff usion rate of Br intercalation in graphite decreases with increasing charge state because of the decreasing intercalation sites in graphite,and the integrity of the graphite structure is important for the intercalation reaction.As a result,the battery can continuously run for more than 300 cycles with a Coulombic effi-ciency exceeding 97%and an energy effi ciency of approximately 80%at 30 mA/cm^(2),and the energy density increases by 65%compared with Br^(−)/Br_(2).Combined with double-electron transfer and a highly reversible electrochemical process,the Br intercalation redox couple demonstrates very promising prospects for stationary energy storage.展开更多
Flow batteries with high energy density and long cycle life have been pursued to advance the progress of energy storage and grid application. Non-aqueous batteries with wide voltage windows represent a promising techn...Flow batteries with high energy density and long cycle life have been pursued to advance the progress of energy storage and grid application. Non-aqueous batteries with wide voltage windows represent a promising technology without the limitation of water electrolysis, but they suffer from low electrolyte concentration and unsatisfactory battery performance. Here, a non-aqueous lithium bromine rechargeable battery is proposed, which is based on Br;/Br;and Li;/Li as active redox pairs, with fast redox kinetics and good stability. The Li/Br battery combines the advantages of high output voltage(;.1 V),electrolyte concentration(3.0 mol/L), maximum power density(29.1 m W/cm;) and practical energy density(232.6 Wh/kg). Additionally, the battery displays a columbic efficiency(CE) of 90.0%, a voltage efficiency(VE) of 88.0% and an energy efficiency(EE) of 80.0% at 1.0 m A/cm;after continuously running for more than 1000 cycles, which is by far the longest cycle life reported for non-aqueous flow batteries.展开更多
In the process of bromine production,because of lag adjustment methods,there are problems of adjusting delay,raw material wastage and low growth rate.By considering the nature of bromine production,with the help of fu...In the process of bromine production,because of lag adjustment methods,there are problems of adjusting delay,raw material wastage and low growth rate.By considering the nature of bromine production,with the help of fuzzy data processing method,computer detection and display technique,we designed an automatic detection instrument for the ratio of chlorine to bromine in oxidized liquid of bromine production.This instrument can be used to detect the different parameters of raw materials adjustment and control in real time,and afford assurance that raw materials will be adjusted in time.This paper briefly introduces the working mechanism,hardware and software design of the instrument.展开更多
new method to synthesize heterocycle-fused troponoid compounds by oxidizing azocoupling products of 3-isopropenyltropolone and 3-cinnamoyltropolone with bromine in the presence of pyridine was reported for the first t...new method to synthesize heterocycle-fused troponoid compounds by oxidizing azocoupling products of 3-isopropenyltropolone and 3-cinnamoyltropolone with bromine in the presence of pyridine was reported for the first time. Reaction of azo-couping products of 3-isopropenyl tropolone 1a similar to f and 3-cinnamoyltropolone 3a similar to d with excess bromine afforded heterocycle-fused troponoid compounds 2a similar to f, 4a similar to d, respectively.展开更多
Simple molecular solids have been an important subject in condensed matter physics,particularly for research of pressure-induced molecular dissociation.We re-explore the structural changes of element bromine through p...Simple molecular solids have been an important subject in condensed matter physics,particularly for research of pressure-induced molecular dissociation.We re-explore the structural changes of element bromine through pressure-induced decomposition of solid HBr.The phase changes in HBr are investigated by Raman spectroscopy and synchrotron x-ray diffraction up to 125 GPa at room temperature.By applying pressure,HBr decomposes into solid bromine in the pressure range of 18.7-38 GPa.The solid bromine changes from molecular phase to incommensurate phase at 81 GPa,and finally to monatomic phase at 91 GPa.During the process of pressureinduced molecular dissociation, the intermediate incommensurate phase of element bromine is confirmed for the first time from the x-ray diffraction studies.The decomposition of HBr is irreversible since HBr cannot form again upon pressure decompression.展开更多
The interaction of (Br-)i(H2O)50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave...The interaction of (Br-)i(H2O)50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0≤ w ≤ 3500 cm-1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Brions are added to the ozone- containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br- can be used to develop an investigation of the mechanisms of ozone depletion.展开更多
Significant fractions of bromine-substituted disinfection byproducts (DBPs)—particularly trihalomethanes (THMs)— have been observed to form during treatment of water from the Missouri River. THM speciation was also ...Significant fractions of bromine-substituted disinfection byproducts (DBPs)—particularly trihalomethanes (THMs)— have been observed to form during treatment of water from the Missouri River. THM speciation was also noted to follow a seasonal pattern during a 2.5-year period, during which samples were collected multiple times per month. Although some treatment processes were effective at reducing the chloroform formation potential, no treatment used at this utility significantly reduced the formation of the three bromine-substituted THM species. Using chloramination rather than free chlorination for secondary disinfection, however, was effective at limiting increases in the concentration of all four regulated THM species in the distribution system.展开更多
Bromine is an irreplaceable reagent for many important applications including necessary additive for flame retardants and rubber treatment.However,the toxicity,causticity,and vaporability of bromine make the safe usag...Bromine is an irreplaceable reagent for many important applications including necessary additive for flame retardants and rubber treatment.However,the toxicity,causticity,and vaporability of bromine make the safe usage and transportation of bromine challenging,which can be alleviated by the bromine prefixation.Herein,vacancy-ordered bromide perovskites such as Cs^(4)Sb_(2)Br_(12)and Cs_(2)PdBr_(6)are selected out for the bromine fixation through density-functional theory calculations and experiments.The redox within the bromide perovskites is designed to provide the driving force for the reversible release and fixation of bromine.Heating and cooling the title bromide perovskites in a necked ampoule make the bromine visible and separable from the solid residue.The composition engineering(i.e.,Cs_(4)Sb_(2)Br_(12)vs Rb_(4)Sb_(2)Br_(12),and Cs_(4)Sb_(2)Br_(12)vs Cs_(2)PdBr_(6))can effectively tune the stability(against water and high temperature)and the bromine storage capacity(from9.30%to 18.76%).In addition,this work can provide a one-step preparation method for the liquid bromine without further purification.展开更多
A novel D-π-A type α-cyanostilbenzene derivative,(Z)-2-(4-aminophenyl)-3-(4-bromophenyl)-acrylonitrile(ABAN), was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. Th...A novel D-π-A type α-cyanostilbenzene derivative,(Z)-2-(4-aminophenyl)-3-(4-bromophenyl)-acrylonitrile(ABAN), was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. The structure of ABAN was confirmed by FT-IR, 1H NMR, 13 C NMR spectra and single-crystal X-ray diffraction analysis. The ABAN is of orthorhombic system, space group P212121, with a = 8.6100(14), b = 9.6923(16), c = 15.705(3) , Mr = 299.17, V = 1310.6(4) 3, Z = 4, Dc = 1.516 g/cm-3, μ = 3.119 mm-1, F(000) = 600, Rint = 0.038, R(I 〉 2σ(I)) = 0.0276, w R(I 〉 2σ(I)) = 0.0628, R(all data) = 0.0324, wR(all data) = 0.0646, completeness to theta = 25.00 was 99.8% and GOOF = 1.04. In the crystal structure, ABAN molecules were linked with each other through intermolecular C–H···π interactions and N–H···N hydrogen bonds, by which the 1D chain, 2D plane and 3D stacking structures were constructed. The photophysical properties and calculation results confirmed that ABAN possessed an intramolecular charge transfer(ICT) process. ABAN could be applied into the optoelectronic material field due to good solvent-tuned photophysical properties and highly thermal stability.展开更多
Tobacco addiction has been mentioned as a leading cause of preventable illnesses and premature disability. Smoking is the main cause of lung cancer and one of the factors that most contribute to the occurrence of hear...Tobacco addiction has been mentioned as a leading cause of preventable illnesses and premature disability. Smoking is the main cause of lung cancer and one of the factors that most contribute to the occurrence of heart diseases, among others. The herbaceous species Nicotiana tabacum is a plant of the solanaceae family used for tobacco production. Some authors have conducted research about heavy metals and the toxicity of tobacco. It is, frequently, found in low concentrations in the ground, and superficial and underground waters, even though they do not have environmental anthropogenic contributions. However, with the increase of industrial activities and mining together with the agrochemical use of contaminated organic and inorganic fertilizers, an alteration of the geochemical cycle occurs. As a consequence, the natural flow of these materials increases and is released into the biosphere, where they are often accumulated in the superior layer of the ground, accessible to the roots of the plants. During planting and plant development, fertilizers and insecticides, including organochlorines and organophosphates, are used;consequently, the smoke from cigarette smoking presents various toxic substances, such as bromine (Br), manganese (Mn) and antimony (Sb), elements studied in this work. The procedures for the preparation of the samples were carried out in our laboratories and submitted to irradiation with thermal neutrons at Nuclear and Energy Research Institute (IPEN/CNEN-SP), in the Atomic Energy Institute IEA-R1 research reactor. The irradiated material was, then, analyzed by gamma spectrometry, using a high purity germanium detector (HPGe).展开更多
Surface modification of poly [1-(trimethylsilyl)-1-propyne] (PTMSP) membranes bybromine vapor has been studied. It is shown that Br/C atomic ratio at the surfaces increased withthe time of bromination until about 60 m...Surface modification of poly [1-(trimethylsilyl)-1-propyne] (PTMSP) membranes bybromine vapor has been studied. It is shown that Br/C atomic ratio at the surfaces increased withthe time of bromination until about 60 min, then it reached a plateau. The results of XPS and IRstudies indicated that the addition of bromine to double bonds and the replacement of H on CH_3 bybromine had taken place so that a new peak at 286.0 eV (C--Br)in C_(1s) spectra and some newbands, e. g. at 1220 and 580cm^(-1) in IR spectra were formed. The fact,t Po_2, permeability ofoxygen, decreased and α_(O_2/N_2), separation factor of oxygen relative to nitrogen, increased withbromination time, shows that surface modification of PTMSP by bromine may be an efficient approach to prepare PTMSP membranes used for practical gas separations.展开更多
Determination of halogen-specific total organic halogen(TOX) is vital for studies of disinfection of waters containing bromide, since total organic bromine(TOBr) is likely to be more problematic than total organic...Determination of halogen-specific total organic halogen(TOX) is vital for studies of disinfection of waters containing bromide, since total organic bromine(TOBr) is likely to be more problematic than total organic chlorine. Here, we present further halogen-specific TOX method optimisation and validation, focusing on measurement of TOBr. The optimised halogen-specific TOX method was validated based on the recovery of model compounds covering different classes of disinfection by-products(haloacetic acids, haloacetonitriles,halophenols and halogenated benzenes) and the recovery of total bromine(mass balance of TOBr and bromide concentrations) during disinfection of waters containing dissolved organic matter and bromide. The validation of a halogen-specific TOX method based on the mass balance of total bromine has not previously been reported. Very good recoveries of organic halogen from all model compounds were obtained, indicating high or complete conversion of all organic halogen in the model compound solution through to halide in the absorber solution for ion chromatography analysis. The method was also successfully applied to monitor conversion of bromide to TOBr in a groundwater treatment plant. An excellent recovery(101%)of total bromine was observed from the raw water to the post-chlorination stage. Excellent recoveries of total bromine(92%–95%) were also obtained from chlorination of a synthetic water containing dissolved organic matter and bromide, demonstrating the validity of the halogen-specific TOX method for TOBr measurement. The halogen-specific TOX method is an important tool to monitor and better understand the formation of halogenated organic compounds, in particular brominated organic compounds, in drinking water systems.展开更多
Following the observation of candidate chiral doublet bands in ^(78,80)Br, triaxial deformations with corresponding configurations in odd-odd bromine isotopes have been investigated using adiabatic and configuration-f...Following the observation of candidate chiral doublet bands in ^(78,80)Br, triaxial deformations with corresponding configurations in odd-odd bromine isotopes have been investigated using adiabatic and configuration-fixed constrained triaxial relativistic-meanfield calculations with an aim of finding the boundary of chirality in the chain of Br isotopes. Several minima with triaxial deformation and the proper particle-hole configuration were obtained in ^(74,76,78,80,82)Br, where the chiral doublet bands have the possibility of occurrence. Furthermore, the possible existence of multiple chiral doublet(MχD) bands is demonstrated in ^(74,76,78,80,82)Br.Experiments to explore the chirality and MχD properties of Br isotopes are conducted to verify the predictions.展开更多
A new star-shaped molecule StOF-Br_3 containing oligofluorenes and halogen atoms(Bromine) has been synthesized and studied by Scanning Tunneling Microscopy(STM) at the highly oriented pyrolytic graphite(HOPG) surface....A new star-shaped molecule StOF-Br_3 containing oligofluorenes and halogen atoms(Bromine) has been synthesized and studied by Scanning Tunneling Microscopy(STM) at the highly oriented pyrolytic graphite(HOPG) surface.We have obtained the high-resolution self-assembled STM images,from which the highly ordered and closely packed non-porous arrangements of the StOF-Br_3 molecular selfassemblies at the heptanoic acid/HOPG surface could be observed.The molecular models and selfassembled StOF-Br_3 architectures have been given in the following text.Besides,we have also figured out the surface free energy by the density functional theory(DFT) calculation,which proved that the halogen...halogen interaction was strong enough to stabilize the ordered molecular self-assemblies.This work verifies the existence of bromine...bromine interactions,and meanwhile provides a kind of effective approach for quickly building ordered molecular nanoarchitectures with large areas and different geometries.展开更多
Brominated disinfection by-products(Br-DBPs)can form during the chlorination of drinking water in treatment plants(DWTP).Regulations exist for a small subset of Br-DBPs;however,hundreds of unregulated Br-DBPs have bee...Brominated disinfection by-products(Br-DBPs)can form during the chlorination of drinking water in treatment plants(DWTP).Regulations exist for a small subset of Br-DBPs;however,hundreds of unregulated Br-DBPs have been detected,and limited information exists on their occurrence,concentrations,and seasonal trends.Here,a data-independent precursor isolation and characteristic fragment(DIPIC-Frag)method were optimized to screen chlorinated waters for Br-DBPs.There were 553 Br-DBPs detected with m/z values ranging from 170.884 to 497.0278 and chromatographic retention times from 2.4 to 26.2 min.With MS2 information,structures for 40 of the 54 most abundant Br-DBPs were predicted.The method was then applied to a year-long study in which raw,clear well,and finished water were analyzed monthly.The 54 most abundant unregulated Br-DBPs were subjected to trend analysis.Br-DBPs with higher oxygen-to-carbon(O/C)and bromine-to-carbon(Br/C)ratios increased as water moved from the clear well to the finished stage,which indicated the dynamic formation of Br-DBPs.Monthly trends of unregulated Br-DBPs were compared to raw water parameters,such as natural organic matter,temperature,and total bromine,but no correlations were observed.It was found that total concentrations of bromine(TBr)in finished water(0.04–0.12 mg/L)were consistently and significantly greater than in raw water(0.013–0.038 mg/L,P<0.001),suggesting the introduction of bromine during the disinfection process.Concentrations of TBr in treatment units,rather than raw water,were significantly correlated to 34 of the Br-DBPs atα?0.05.This study provides the first evidence that monthly trends of unregulated Br-DBPs can be associated with the concentration of TBr in treated waters.展开更多
Mild and efficient method for bromination of electron-rich aromatic compounds is described using polyvinylpolypyrrolidone- bromine complex (PVPP-Br2). The reaction proceeded smoothly with phenols and N.N-alkylated a...Mild and efficient method for bromination of electron-rich aromatic compounds is described using polyvinylpolypyrrolidone- bromine complex (PVPP-Br2). The reaction proceeded smoothly with phenols and N.N-alkylated amines to afford the correspond- ing monobrominated product in good yields at ambient temperature.展开更多
An isomerism strategy was employed to develop single,end‐group bromine-substituted non‐fullerene two isomeric acceptors,2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e...An isomerism strategy was employed to develop single,end‐group bromine-substituted non‐fullerene two isomeric acceptors,2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2,"3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(4-bromo-3-oxo-2,3-dihydro-1H-inden-1-ylidene)dimalononitrile(BTIC-2Br-β)and 2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2,"3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5-bromo-3-oxo-2,3-dihydro-1Hinden-1-ylidene)dimalononitrile(BTIC-2Br-γ).展开更多
基金flnancial support from Australian Research Council through its Discovery,Future Fellowship ProgramsImam Mohammad Ibn Saud Islamic University (IMSIU) in Riyadh,Saudi Arabia,for flnancial support of this work.
文摘Zinc–bromine rechargeable batteries(ZBRBs)are one of the most powerful candidates for next-generation energy storage due to their potentially lower material cost,deep discharge capability,non-flammable electrolytes,relatively long lifetime and good reversibility.However,many opportunities remain to improve the efficiency and stability of these batteries for long-life operation.Here,we discuss the device configurations,working mechanisms and performance evaluation of ZBRBs.Both non-flow(static)and flow-type cells are highlighted in detail in this review.The fundamental electrochemical aspects,including the key challenges and promising solutions,are discussed,with particular attention paid to zinc and bromine half-cells,as their performance plays a critical role in determining the electrochemical performance of the battery system.The following sections examine the key performance metrics of ZBRBs and assessment methods using various ex situ and in situ/operando techniques.The review concludes with insights into future developments and prospects for high-performance ZBRBs.
基金supported by National Natural Science Foundation of China(Nos.21935003,21925804)the Strategic Priority Research Program of the Chinese Academy of Sci-ences(No.XDA21070100)+1 种基金CAS Engineering Laboratory for Electro-chemical Energy Storage(KFJ-PTXM-027)DICP funding(DICP I202137).
文摘Br_(2)/Br^(−)is a promising redox couple in fl ow batteries because of its high potential,solubility,and low cost.However,the reaction between Br^(−)and Br_(2)only involves a single-electron transfer process,which limits its energy density.Herein,a novel two-electron transfer reaction based on Br^(−)/Br^(+) was studied and realized through Br^(+) intercalation into graphite to form a bromine-graphite intercalation compound(Br-GIC).Compared with the pristine Br^(−)/Br_(2)redox pair,the redox potential of Br intercalation/deintercalation in graphite is 0.5 V higher,which has the potential to substantially increase the energy density.Diff erent from Br_(2)/Br^(−)in the electrolyte,the diff usion rate of Br intercalation in graphite decreases with increasing charge state because of the decreasing intercalation sites in graphite,and the integrity of the graphite structure is important for the intercalation reaction.As a result,the battery can continuously run for more than 300 cycles with a Coulombic effi-ciency exceeding 97%and an energy effi ciency of approximately 80%at 30 mA/cm^(2),and the energy density increases by 65%compared with Br^(−)/Br_(2).Combined with double-electron transfer and a highly reversible electrochemical process,the Br intercalation redox couple demonstrates very promising prospects for stationary energy storage.
基金financial supported by the Natural Science Foundation of China(Grant No.21476224,21406219 and 51361135701)
文摘Flow batteries with high energy density and long cycle life have been pursued to advance the progress of energy storage and grid application. Non-aqueous batteries with wide voltage windows represent a promising technology without the limitation of water electrolysis, but they suffer from low electrolyte concentration and unsatisfactory battery performance. Here, a non-aqueous lithium bromine rechargeable battery is proposed, which is based on Br;/Br;and Li;/Li as active redox pairs, with fast redox kinetics and good stability. The Li/Br battery combines the advantages of high output voltage(;.1 V),electrolyte concentration(3.0 mol/L), maximum power density(29.1 m W/cm;) and practical energy density(232.6 Wh/kg). Additionally, the battery displays a columbic efficiency(CE) of 90.0%, a voltage efficiency(VE) of 88.0% and an energy efficiency(EE) of 80.0% at 1.0 m A/cm;after continuously running for more than 1000 cycles, which is by far the longest cycle life reported for non-aqueous flow batteries.
文摘In the process of bromine production,because of lag adjustment methods,there are problems of adjusting delay,raw material wastage and low growth rate.By considering the nature of bromine production,with the help of fuzzy data processing method,computer detection and display technique,we designed an automatic detection instrument for the ratio of chlorine to bromine in oxidized liquid of bromine production.This instrument can be used to detect the different parameters of raw materials adjustment and control in real time,and afford assurance that raw materials will be adjusted in time.This paper briefly introduces the working mechanism,hardware and software design of the instrument.
文摘new method to synthesize heterocycle-fused troponoid compounds by oxidizing azocoupling products of 3-isopropenyltropolone and 3-cinnamoyltropolone with bromine in the presence of pyridine was reported for the first time. Reaction of azo-couping products of 3-isopropenyl tropolone 1a similar to f and 3-cinnamoyltropolone 3a similar to d with excess bromine afforded heterocycle-fused troponoid compounds 2a similar to f, 4a similar to d, respectively.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51572108,51632002,11504127,11674122,11574112,11474127 and 11634004the 111 Project(No B12011)+1 种基金Program for Changjiang Scholars and Innovative Research Team in University(No IRT-15R23)the National Fund for Fostering Talents of Basic Science(No J1103202)
文摘Simple molecular solids have been an important subject in condensed matter physics,particularly for research of pressure-induced molecular dissociation.We re-explore the structural changes of element bromine through pressure-induced decomposition of solid HBr.The phase changes in HBr are investigated by Raman spectroscopy and synchrotron x-ray diffraction up to 125 GPa at room temperature.By applying pressure,HBr decomposes into solid bromine in the pressure range of 18.7-38 GPa.The solid bromine changes from molecular phase to incommensurate phase at 81 GPa,and finally to monatomic phase at 91 GPa.During the process of pressureinduced molecular dissociation, the intermediate incommensurate phase of element bromine is confirmed for the first time from the x-ray diffraction studies.The decomposition of HBr is irreversible since HBr cannot form again upon pressure decompression.
基金Project supported by the Russian Foundation of Basic Research (Grant No. 08-08-00136-a)
文摘The interaction of (Br-)i(H2O)50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0≤ w ≤ 3500 cm-1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Brions are added to the ozone- containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br- can be used to develop an investigation of the mechanisms of ozone depletion.
文摘Significant fractions of bromine-substituted disinfection byproducts (DBPs)—particularly trihalomethanes (THMs)— have been observed to form during treatment of water from the Missouri River. THM speciation was also noted to follow a seasonal pattern during a 2.5-year period, during which samples were collected multiple times per month. Although some treatment processes were effective at reducing the chloroform formation potential, no treatment used at this utility significantly reduced the formation of the three bromine-substituted THM species. Using chloramination rather than free chlorination for secondary disinfection, however, was effective at limiting increases in the concentration of all four regulated THM species in the distribution system.
基金supported by National Natural Science Foundation of China(NSFC)(No.21871048,51802039)NSF of Fujian Province(2019J01266)+3 种基金the State Key Laboratory Program of Structural Chemistry in China(20190014)supported by the Thousand Young Talents Program of Chinathe Startup Fund of HUSTthe Director Fund of Wuhan National Laboratory for Optoelectronics
文摘Bromine is an irreplaceable reagent for many important applications including necessary additive for flame retardants and rubber treatment.However,the toxicity,causticity,and vaporability of bromine make the safe usage and transportation of bromine challenging,which can be alleviated by the bromine prefixation.Herein,vacancy-ordered bromide perovskites such as Cs^(4)Sb_(2)Br_(12)and Cs_(2)PdBr_(6)are selected out for the bromine fixation through density-functional theory calculations and experiments.The redox within the bromide perovskites is designed to provide the driving force for the reversible release and fixation of bromine.Heating and cooling the title bromide perovskites in a necked ampoule make the bromine visible and separable from the solid residue.The composition engineering(i.e.,Cs_(4)Sb_(2)Br_(12)vs Rb_(4)Sb_(2)Br_(12),and Cs_(4)Sb_(2)Br_(12)vs Cs_(2)PdBr_(6))can effectively tune the stability(against water and high temperature)and the bromine storage capacity(from9.30%to 18.76%).In addition,this work can provide a one-step preparation method for the liquid bromine without further purification.
基金Supported by the Educational Commission of Anhui Province(KJ2014ZD02)the National Natural Science Foundation of China(51432001)
文摘A novel D-π-A type α-cyanostilbenzene derivative,(Z)-2-(4-aminophenyl)-3-(4-bromophenyl)-acrylonitrile(ABAN), was designed and synthesized, by introducing an electrondonating amino group and a heavy atom. The structure of ABAN was confirmed by FT-IR, 1H NMR, 13 C NMR spectra and single-crystal X-ray diffraction analysis. The ABAN is of orthorhombic system, space group P212121, with a = 8.6100(14), b = 9.6923(16), c = 15.705(3) , Mr = 299.17, V = 1310.6(4) 3, Z = 4, Dc = 1.516 g/cm-3, μ = 3.119 mm-1, F(000) = 600, Rint = 0.038, R(I 〉 2σ(I)) = 0.0276, w R(I 〉 2σ(I)) = 0.0628, R(all data) = 0.0324, wR(all data) = 0.0646, completeness to theta = 25.00 was 99.8% and GOOF = 1.04. In the crystal structure, ABAN molecules were linked with each other through intermolecular C–H···π interactions and N–H···N hydrogen bonds, by which the 1D chain, 2D plane and 3D stacking structures were constructed. The photophysical properties and calculation results confirmed that ABAN possessed an intramolecular charge transfer(ICT) process. ABAN could be applied into the optoelectronic material field due to good solvent-tuned photophysical properties and highly thermal stability.
文摘Tobacco addiction has been mentioned as a leading cause of preventable illnesses and premature disability. Smoking is the main cause of lung cancer and one of the factors that most contribute to the occurrence of heart diseases, among others. The herbaceous species Nicotiana tabacum is a plant of the solanaceae family used for tobacco production. Some authors have conducted research about heavy metals and the toxicity of tobacco. It is, frequently, found in low concentrations in the ground, and superficial and underground waters, even though they do not have environmental anthropogenic contributions. However, with the increase of industrial activities and mining together with the agrochemical use of contaminated organic and inorganic fertilizers, an alteration of the geochemical cycle occurs. As a consequence, the natural flow of these materials increases and is released into the biosphere, where they are often accumulated in the superior layer of the ground, accessible to the roots of the plants. During planting and plant development, fertilizers and insecticides, including organochlorines and organophosphates, are used;consequently, the smoke from cigarette smoking presents various toxic substances, such as bromine (Br), manganese (Mn) and antimony (Sb), elements studied in this work. The procedures for the preparation of the samples were carried out in our laboratories and submitted to irradiation with thermal neutrons at Nuclear and Energy Research Institute (IPEN/CNEN-SP), in the Atomic Energy Institute IEA-R1 research reactor. The irradiated material was, then, analyzed by gamma spectrometry, using a high purity germanium detector (HPGe).
基金The project is supported by the National Natural Science Foundation of China
文摘Surface modification of poly [1-(trimethylsilyl)-1-propyne] (PTMSP) membranes bybromine vapor has been studied. It is shown that Br/C atomic ratio at the surfaces increased withthe time of bromination until about 60 min, then it reached a plateau. The results of XPS and IRstudies indicated that the addition of bromine to double bonds and the replacement of H on CH_3 bybromine had taken place so that a new peak at 286.0 eV (C--Br)in C_(1s) spectra and some newbands, e. g. at 1220 and 580cm^(-1) in IR spectra were formed. The fact,t Po_2, permeability ofoxygen, decreased and α_(O_2/N_2), separation factor of oxygen relative to nitrogen, increased withbromination time, shows that surface modification of PTMSP by bromine may be an efficient approach to prepare PTMSP membranes used for practical gas separations.
基金the Australian Research Council (ARC LP100100285)Water Corporation of Western Australia+3 种基金Curtin Universitythe Swiss Federal Institute for Aquatic Science and Technology (Eawag)Water Research Australiathe Australian Government through The Department of Foreign Affairs and Trade for providing a PhD scholarship under the Australian Award Scholarship (AAS) scheme for M.Langsa
文摘Determination of halogen-specific total organic halogen(TOX) is vital for studies of disinfection of waters containing bromide, since total organic bromine(TOBr) is likely to be more problematic than total organic chlorine. Here, we present further halogen-specific TOX method optimisation and validation, focusing on measurement of TOBr. The optimised halogen-specific TOX method was validated based on the recovery of model compounds covering different classes of disinfection by-products(haloacetic acids, haloacetonitriles,halophenols and halogenated benzenes) and the recovery of total bromine(mass balance of TOBr and bromide concentrations) during disinfection of waters containing dissolved organic matter and bromide. The validation of a halogen-specific TOX method based on the mass balance of total bromine has not previously been reported. Very good recoveries of organic halogen from all model compounds were obtained, indicating high or complete conversion of all organic halogen in the model compound solution through to halide in the absorber solution for ion chromatography analysis. The method was also successfully applied to monitor conversion of bromide to TOBr in a groundwater treatment plant. An excellent recovery(101%)of total bromine was observed from the raw water to the post-chlorination stage. Excellent recoveries of total bromine(92%–95%) were also obtained from chlorination of a synthetic water containing dissolved organic matter and bromide, demonstrating the validity of the halogen-specific TOX method for TOBr measurement. The halogen-specific TOX method is an important tool to monitor and better understand the formation of halogenated organic compounds, in particular brominated organic compounds, in drinking water systems.
基金supported by the National Natural Science Foundation of China(Grant Nos.11675094,11622540,and 11705102)the Young Scholars Program of Shandong University,Weihai of China(Grant No.2015WHWLJH01)the Shandong Natural Science Foundation,China(Grant No.JQ201701)
文摘Following the observation of candidate chiral doublet bands in ^(78,80)Br, triaxial deformations with corresponding configurations in odd-odd bromine isotopes have been investigated using adiabatic and configuration-fixed constrained triaxial relativistic-meanfield calculations with an aim of finding the boundary of chirality in the chain of Br isotopes. Several minima with triaxial deformation and the proper particle-hole configuration were obtained in ^(74,76,78,80,82)Br, where the chiral doublet bands have the possibility of occurrence. Furthermore, the possible existence of multiple chiral doublet(MχD) bands is demonstrated in ^(74,76,78,80,82)Br.Experiments to explore the chirality and MχD properties of Br isotopes are conducted to verify the predictions.
基金The financial supports from the National Natural Science Foundation of China(NSFC,Nos.21773041 and 21327805)the National Basic Research Program of China(No.2016YFA0200700)。
文摘A new star-shaped molecule StOF-Br_3 containing oligofluorenes and halogen atoms(Bromine) has been synthesized and studied by Scanning Tunneling Microscopy(STM) at the highly oriented pyrolytic graphite(HOPG) surface.We have obtained the high-resolution self-assembled STM images,from which the highly ordered and closely packed non-porous arrangements of the StOF-Br_3 molecular selfassemblies at the heptanoic acid/HOPG surface could be observed.The molecular models and selfassembled StOF-Br_3 architectures have been given in the following text.Besides,we have also figured out the surface free energy by the density functional theory(DFT) calculation,which proved that the halogen...halogen interaction was strong enough to stabilize the ordered molecular self-assemblies.This work verifies the existence of bromine...bromine interactions,and meanwhile provides a kind of effective approach for quickly building ordered molecular nanoarchitectures with large areas and different geometries.
基金supported by a Discovery Grant from the Natural Sciences and Engineering Research Council of Canada of Canada(Project#326415-07)and a grant from the Western Economic Diversification Canada(Projects#6578,6807,and 000012711).Prof.Giesy was supported by the Canada Research Chair program,and the 2014“High Level Foreign Experts”(#GDT20143200016)program funded by the State Administration of Foreign Experts Affairs,the P.R.China to Nanjing University,the Einstein Professor Program of the Chinese Academy of Sciences,and a Distinguished Visiting Professorship in the School of Biological Sciences of the University of Hong Kong.Prof.Peng was supported by a Discovery Grant from the Natural Sciences and Engineering Research Council of Canada of Canada(Project#RGPIN-2018-06511)and University of Toronto Start-up Funds.
文摘Brominated disinfection by-products(Br-DBPs)can form during the chlorination of drinking water in treatment plants(DWTP).Regulations exist for a small subset of Br-DBPs;however,hundreds of unregulated Br-DBPs have been detected,and limited information exists on their occurrence,concentrations,and seasonal trends.Here,a data-independent precursor isolation and characteristic fragment(DIPIC-Frag)method were optimized to screen chlorinated waters for Br-DBPs.There were 553 Br-DBPs detected with m/z values ranging from 170.884 to 497.0278 and chromatographic retention times from 2.4 to 26.2 min.With MS2 information,structures for 40 of the 54 most abundant Br-DBPs were predicted.The method was then applied to a year-long study in which raw,clear well,and finished water were analyzed monthly.The 54 most abundant unregulated Br-DBPs were subjected to trend analysis.Br-DBPs with higher oxygen-to-carbon(O/C)and bromine-to-carbon(Br/C)ratios increased as water moved from the clear well to the finished stage,which indicated the dynamic formation of Br-DBPs.Monthly trends of unregulated Br-DBPs were compared to raw water parameters,such as natural organic matter,temperature,and total bromine,but no correlations were observed.It was found that total concentrations of bromine(TBr)in finished water(0.04–0.12 mg/L)were consistently and significantly greater than in raw water(0.013–0.038 mg/L,P<0.001),suggesting the introduction of bromine during the disinfection process.Concentrations of TBr in treatment units,rather than raw water,were significantly correlated to 34 of the Br-DBPs atα?0.05.This study provides the first evidence that monthly trends of unregulated Br-DBPs can be associated with the concentration of TBr in treated waters.
基金the Research Council of Islamic Azad University-Ayatollah Amoli Branch for financial support of this work
文摘Mild and efficient method for bromination of electron-rich aromatic compounds is described using polyvinylpolypyrrolidone- bromine complex (PVPP-Br2). The reaction proceeded smoothly with phenols and N.N-alkylated amines to afford the correspond- ing monobrominated product in good yields at ambient temperature.
基金supported by the National Natural Science Foundation of China(nos.51773087,21733005,and 21975115)Shenzhen Fundamental Research Program(nos.JCYJ20170817111214740,JCYJ20180302180238419,and KQJSCX20180319114442157),and Shenzhen Nobel Prize Scientists Laboratory Project(no.C17213101)and the Guangdong Innovative and Entrepreneurial Research Team Program under contract no.2016ZT06G587.
文摘An isomerism strategy was employed to develop single,end‐group bromine-substituted non‐fullerene two isomeric acceptors,2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2,"3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(4-bromo-3-oxo-2,3-dihydro-1H-inden-1-ylidene)dimalononitrile(BTIC-2Br-β)and 2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2,"3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5-bromo-3-oxo-2,3-dihydro-1Hinden-1-ylidene)dimalononitrile(BTIC-2Br-γ).