A new coordination complex, [Ag(IIMB)N 3], was prepared by self-assembly of asymmetric ligand 1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene(IIMB) with [Ag(NH 3) 2]N 3. The crystal structural analysis indicates that ...A new coordination complex, [Ag(IIMB)N 3], was prepared by self-assembly of asymmetric ligand 1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene(IIMB) with [Ag(NH 3) 2]N 3. The crystal structural analysis indicates that the structure of the complex contains fifty-two-membered macrometallacyclic rings, and the complex crystallizes in monoclinic system, space group of P2 1/c with a=0.739 8(1) nm, {b=}1.045 1(1) nm, c=1.812 4(2)nm, β=91.65(1)°, V=1.400 7(3) nm3, Z=4, D c=1.774 g/cm3, {F(000)=}744, R=0.050 5, wR=0.084 0. It is notable that the azide ion bridges two silver(Ⅰ) atoms in end-on fashion.展开更多
Neon(Ne)can reveal the evolution of planets,and nitrogen(N)is the most abundant element in the Earth’s atmosphere.Considering the inertness of neon,whether nitrogen and neon can react has aroused great interest in co...Neon(Ne)can reveal the evolution of planets,and nitrogen(N)is the most abundant element in the Earth’s atmosphere.Considering the inertness of neon,whether nitrogen and neon can react has aroused great interest in condensed matter physics and space science.Here,we identify three new Ne–N compounds(i.e.,NeN_(6),NeN_(10),and NeN_(22))under pressure by frst-principles calculations.We fnd that inserting Ne into N_(2) substantially decreases the polymeric pressure of the nitrogen and promotes the formation of abundant polynitrogen structures.Especially,NeN_(22)acquires a duplex host-guest structure,in which guest atoms(Ne and N_(2)dimers)are trapped inside the crystalline host N_(20)cages.Importantly,both NeN_(10)and NeN_(22)not only are dynamically and mechanically stable but also have a high thermal stability up to 500K under ambient pressure.Moreover,ultra-high energy densities are obtained in NeN_(10)(11.1 kJ/g),NeN_(22)(11.5 kJ/g),tetragonal t-N_(22)(11.6 kJ/g),and t-N_(20)(12.0 kJ/g)produced from NeN_(22),which are more than twice the value of trinitrotoluene(TNT).Meanwhile,their explosive performance is superior to that of TNT.Therefore,NeN_(10),NeN_(22),t-N_(22),and t-N_(20)are promising green high-energy-density materials.This work promotes the study of neon-nitrogen compounds with superior properties and potential applications.展开更多
In this paper we have extended the eigenchannel quantum defect theory(EQDT) into the five-channel case and calculated the complete excited-state structure of the neon atom.
Collective phenomenon in neon isotopes is an interesting topic.However,even the ground-state deformations cannot be well described by theories.Recently,QJ Zhi and ZZ Ren[Phys Lett B 638:166(2006)]have suggested an imp...Collective phenomenon in neon isotopes is an interesting topic.However,even the ground-state deformations cannot be well described by theories.Recently,QJ Zhi and ZZ Ren[Phys Lett B 638:166(2006)]have suggested an improved Nilsson potential,which can give a suitable description of ground-state properties in magnesium isotopes.In order to test the description of neon isotopes located around the‘‘island of inversion’’,we have used this potential to provide the deformed basis for the projectedshell-model calculations.The low-lying spectra and transition properties of neon isotopes can be reproduced reasonably.The gyromagnetic factors of neon isotopes have also been investigated.The structures of excited states along the yrast line are studied in the language of band diagrams.展开更多
文摘A new coordination complex, [Ag(IIMB)N 3], was prepared by self-assembly of asymmetric ligand 1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene(IIMB) with [Ag(NH 3) 2]N 3. The crystal structural analysis indicates that the structure of the complex contains fifty-two-membered macrometallacyclic rings, and the complex crystallizes in monoclinic system, space group of P2 1/c with a=0.739 8(1) nm, {b=}1.045 1(1) nm, c=1.812 4(2)nm, β=91.65(1)°, V=1.400 7(3) nm3, Z=4, D c=1.774 g/cm3, {F(000)=}744, R=0.050 5, wR=0.084 0. It is notable that the azide ion bridges two silver(Ⅰ) atoms in end-on fashion.
基金supported by the National Key Research and Development Program of China(Grant No.2021YFA1400400)the Fundamental Research Funds for the Central Universities(Grant No.020414380185)+3 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20200007)the National Natural Science Foundation of China(Grant Nos.12074181,11834006,and 11704062)the Fok Ying-Tong Education Foundation of China(Grant No.161006)the Fund from Jilin Province(Grant No.JJKH20221152KJ)。
文摘Neon(Ne)can reveal the evolution of planets,and nitrogen(N)is the most abundant element in the Earth’s atmosphere.Considering the inertness of neon,whether nitrogen and neon can react has aroused great interest in condensed matter physics and space science.Here,we identify three new Ne–N compounds(i.e.,NeN_(6),NeN_(10),and NeN_(22))under pressure by frst-principles calculations.We fnd that inserting Ne into N_(2) substantially decreases the polymeric pressure of the nitrogen and promotes the formation of abundant polynitrogen structures.Especially,NeN_(22)acquires a duplex host-guest structure,in which guest atoms(Ne and N_(2)dimers)are trapped inside the crystalline host N_(20)cages.Importantly,both NeN_(10)and NeN_(22)not only are dynamically and mechanically stable but also have a high thermal stability up to 500K under ambient pressure.Moreover,ultra-high energy densities are obtained in NeN_(10)(11.1 kJ/g),NeN_(22)(11.5 kJ/g),tetragonal t-N_(22)(11.6 kJ/g),and t-N_(20)(12.0 kJ/g)produced from NeN_(22),which are more than twice the value of trinitrotoluene(TNT).Meanwhile,their explosive performance is superior to that of TNT.Therefore,NeN_(10),NeN_(22),t-N_(22),and t-N_(20)are promising green high-energy-density materials.This work promotes the study of neon-nitrogen compounds with superior properties and potential applications.
文摘In this paper we have extended the eigenchannel quantum defect theory(EQDT) into the five-channel case and calculated the complete excited-state structure of the neon atom.
基金supported by the National Key Basic Research Program of China (2013CB834400)the National Natural Science Foundation of China (11235001,11275067 and 11320101004)support by University of Jyvskyl within the FIDIPRO program
文摘Collective phenomenon in neon isotopes is an interesting topic.However,even the ground-state deformations cannot be well described by theories.Recently,QJ Zhi and ZZ Ren[Phys Lett B 638:166(2006)]have suggested an improved Nilsson potential,which can give a suitable description of ground-state properties in magnesium isotopes.In order to test the description of neon isotopes located around the‘‘island of inversion’’,we have used this potential to provide the deformed basis for the projectedshell-model calculations.The low-lying spectra and transition properties of neon isotopes can be reproduced reasonably.The gyromagnetic factors of neon isotopes have also been investigated.The structures of excited states along the yrast line are studied in the language of band diagrams.
