Frequencies of frequency standards are shifted by the local static gravity red shifts and also modulated by the tidal relativistic red shifts. We compute the tidal relativistic red shifts using a time-domain method an...Frequencies of frequency standards are shifted by the local static gravity red shifts and also modulated by the tidal relativistic red shifts. We compute the tidal relativistic red shifts using a time-domain method and present the numerical results for the National Institute of Metrology （NIM） in Beijing, Laboratoire National de Metrologie et Essais-Systeme de References Temps-Espaee （LNE-SYRTE） in Paris and Physikalisch-Teehnische Bundesanstalt （PTB） in Braunschweig. The differences of the tidal relativistic red shift approach as large as 1.1 × 10^-16 when frequency standards at NIM are compared with those at SYRTE and PTB. Moreover, the tidal relativistic red shifts of frequency standards in space stations are also computed.展开更多
In this work we present a study of a new method to prove the equation of the gravitational red shift of spec-tral lines. That’s according to the generalized special relativity theory. The equation of the gravitationa...In this work we present a study of a new method to prove the equation of the gravitational red shift of spec-tral lines. That’s according to the generalized special relativity theory. The equation of the gravitational red shift of spectral lines has been studied in many different works, using different methods depending on the Newtonian mechanics, and other theories. Although attention was drawn to the fact that the well-known ex-pression of the gravitational Red-Shift of spectral lines may be derived with no recourse to the general rela-tivity theory! In this study a unique derivation has been done using the Generalized Special Relativity (GSR) and the same result obtained.展开更多
A theoretical study on the red-shift of laser-induced electro-absorption is presented. It is found that laser-induced red-shift scales with the cube root of the pump laser intensity in the optical tunneling regime and...A theoretical study on the red-shift of laser-induced electro-absorption is presented. It is found that laser-induced red-shift scales with the cube root of the pump laser intensity in the optical tunneling regime and has an obvious deviation from this scale in the multi-photon regime. Our results show that in the optical tunneling regime, the laser-induced red shift has the same law as that in the direct current （DC） approximation. Though the scales are the same in the optical tunneling regime, the physical pictures in the two cases are quite different. The electro-absorption in the DC case is a tunneling-assisted transition process, while the laser-induced electro-absorption is a mixed multi-photon process.展开更多
Theoretical calculations are performed to study the nature of the hydrogen bonds in complexes HCHO···HNO, HCOOH···HNO, HCHO···NH3, HCOOH···NH3, HCHO·...Theoretical calculations are performed to study the nature of the hydrogen bonds in complexes HCHO···HNO, HCOOH···HNO, HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F. The geomet- ric structures and vibrational frequencies of these six complexes at the MP2/6-31+G(d,p), MP2/6-311++G(d,p), B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) levels are calculated by standard and counterpoise-corrected methods, respectively. The results indicate that in complexes HCHO···HNO and HCOOH···HNO the N—H bond is strongly contracted and N—H···O blue-shifted hydrogen bonds are observed. While in complexes HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F, the N—H bond is elongated and N—H···O red-shifted hydrogen bonds are found. From the natural bond orbital analysis it can be seen that the X—H bond length in the X—H···Y hydrogen bond is controlled by a balance of four main factors in the opposite directions: hyperconjugation, electron density redistribu- tion, rehybridization and structural reorganization. Among them hyperconjugation has the effect of elongating the X—H bond, and the other three factors belong to the bond shortening effects. In complexes HCHO···HNO and HCOOH···HNO, the shortening effects dominate which lead to the blue shift of the N—H stretching frequencies. In complexes HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F where elongating effects are dominant, the N—H···O hydrogen bonds are red-shifted.展开更多
Supramolecular assembly of organic dye compounds with J-aggregation leads to a red-shifted absorption spectrum that greatly facilitates the construction of near-infrared(NIR)materials.A considerable improvement of the...Supramolecular assembly of organic dye compounds with J-aggregation leads to a red-shifted absorption spectrum that greatly facilitates the construction of near-infrared(NIR)materials.A considerable improvement of the material functions requires that the absorption red-shift be larger than 100 nm,but such a super-large red-shift is challenging,and the rules leading to the super-large red-shifted absorption is still not explicit.In this review,we focused on those J-aggregated organic dye materials with super-large red-shifted absorption.The nature of the super-large red-shift is originated fromthe intermolecular charge transfer between neighboring chromophores.The super-large red-shift can be obtained by tuning either the molecular structure or kinetic assembly process in a delicate manner.Materials with super-large red-shifted absorption have been successfully applied to biological imaging,phototherapy,electronic devices,and solar cells,and show great potential in many other fields.The elaboration of assembly induced super-large red-shifted absorption is promising for design of supramolecular NIR materials with tuned structures,enhanced functionalities,and a wide array of applications.展开更多
The hydrogen bonding interaction of formic acid-, formaldehyde-, formylfluoride-nitrosyl hydride complexes was investigated by the density functional theory （DFT） and ab inito method in conjunction with 6-311＋＋G（...The hydrogen bonding interaction of formic acid-, formaldehyde-, formylfluoride-nitrosyl hydride complexes was investigated by the density functional theory （DFT） and ab inito method in conjunction with 6-311＋＋G（2d,2p） basis set. The geometries, vibrational frequencies and interaction energies of the complexes were calculated by both standard and CP-corrected methods respectively. Moreover, G3B3 method was employed to estimate the interaction energies. There are C--H…O, N--H…O, N--H…F blue-shifted H-bonds and red-shifted O----H…O H-bond in the complexes. Electron density redistribution and rehybridization contribute to the N--H and C--H blue shifts. All geometric reorganizations contribute to the N--H blue shifts and partial geometric reorganizations contribute to the C--H blue shifts. The geometric reorganizations of the complex C except ZH（5）-O（4）-C（1） contribute to the O----H red shift. For the N--H blue shifts, the effect of r（N--O） variation on the N--H blue shifts is larger than that of ZH-N-O variation. Rehybridization plays a dominant role in the degree of N--H blue shifts, whereas the electron density redistribution contributes more to the degree of C--H blue shifts than the other effects do.展开更多
A series of novel luminescent materials, SrZnO2:M (M=Eu3+, or Eu3+ + Li+) have been synthesized by high-temperature solid-state reaction. The structure and luminescence properties of SrZnO2:Eu3+ phosphor were studied ...A series of novel luminescent materials, SrZnO2:M (M=Eu3+, or Eu3+ + Li+) have been synthesized by high-temperature solid-state reaction. The structure and luminescence properties of SrZnO2:Eu3+ phosphor were studied through XRD, photoluminescence and Raman spectroscopy. The excitation spectra show a broad intense band and a number of small peaks corresponding to the inner 4f-shell excitations of Eu3+ (the strongest one is at 395 nm for 7F0-5L6). After SrZnO2:Eu3+ phosphor was co-doped with Li+ ions, its charge transfer band extended to longer wavelengths. This resulted in increase of luminescent quantum efficiency of the sample. SrZnO2:Eu3+,Li+ phosphor can be efficiently excited by longer UV. From the fluorescence spectrum of SrZnO2:Eu3+ phosphor, apart from transition emissions of 5D0 → 7FJ (J=0~4), the transition emissions from 5D1 → 7FJ (J=0~2) have been observed. For the SrZnO2:Eu3+ phosphor, under excitation of UV, the dominant emission is at about 612 nm, due to the 5D0 → 7F2 hypersensitive transition. The incorporation of Li+ ions greatly enhanced the luminescence intensity and made emission peak from 5D0 → 7F2 transition red-shifted.展开更多
基金Supported by the National Key R&D Program of China under Grant No 2016YFF0200200
文摘Frequencies of frequency standards are shifted by the local static gravity red shifts and also modulated by the tidal relativistic red shifts. We compute the tidal relativistic red shifts using a time-domain method and present the numerical results for the National Institute of Metrology （NIM） in Beijing, Laboratoire National de Metrologie et Essais-Systeme de References Temps-Espaee （LNE-SYRTE） in Paris and Physikalisch-Teehnische Bundesanstalt （PTB） in Braunschweig. The differences of the tidal relativistic red shift approach as large as 1.1 × 10^-16 when frequency standards at NIM are compared with those at SYRTE and PTB. Moreover, the tidal relativistic red shifts of frequency standards in space stations are also computed.
文摘In this work we present a study of a new method to prove the equation of the gravitational red shift of spec-tral lines. That’s according to the generalized special relativity theory. The equation of the gravitational red shift of spectral lines has been studied in many different works, using different methods depending on the Newtonian mechanics, and other theories. Although attention was drawn to the fact that the well-known ex-pression of the gravitational Red-Shift of spectral lines may be derived with no recourse to the general rela-tivity theory! In this study a unique derivation has been done using the Generalized Special Relativity (GSR) and the same result obtained.
基金Project supported by the Fundamental Research Funds for the Central Universities,China (Grant No.A735496)the National Natural Science Foundation of China (Grant No.61178018)the Ph.D. Funding Support Program of the Education Ministry of China (Grant No.20110185110007)
文摘A theoretical study on the red-shift of laser-induced electro-absorption is presented. It is found that laser-induced red-shift scales with the cube root of the pump laser intensity in the optical tunneling regime and has an obvious deviation from this scale in the multi-photon regime. Our results show that in the optical tunneling regime, the laser-induced red shift has the same law as that in the direct current （DC） approximation. Though the scales are the same in the optical tunneling regime, the physical pictures in the two cases are quite different. The electro-absorption in the DC case is a tunneling-assisted transition process, while the laser-induced electro-absorption is a mixed multi-photon process.
基金the National Natural Science Foundation of China(Grant No.20477043)Knowledge Innovation Program by Chinese Academy of Sciences(KJCX2-SW-H08)
文摘Theoretical calculations are performed to study the nature of the hydrogen bonds in complexes HCHO···HNO, HCOOH···HNO, HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F. The geomet- ric structures and vibrational frequencies of these six complexes at the MP2/6-31+G(d,p), MP2/6-311++G(d,p), B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) levels are calculated by standard and counterpoise-corrected methods, respectively. The results indicate that in complexes HCHO···HNO and HCOOH···HNO the N—H bond is strongly contracted and N—H···O blue-shifted hydrogen bonds are observed. While in complexes HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F, the N—H bond is elongated and N—H···O red-shifted hydrogen bonds are found. From the natural bond orbital analysis it can be seen that the X—H bond length in the X—H···Y hydrogen bond is controlled by a balance of four main factors in the opposite directions: hyperconjugation, electron density redistribu- tion, rehybridization and structural reorganization. Among them hyperconjugation has the effect of elongating the X—H bond, and the other three factors belong to the bond shortening effects. In complexes HCHO···HNO and HCOOH···HNO, the shortening effects dominate which lead to the blue shift of the N—H stretching frequencies. In complexes HCHO···NH3, HCOOH···NH3, HCHO···NH2F and HCOOH···NH2F where elongating effects are dominant, the N—H···O hydrogen bonds are red-shifted.
基金This work was financially supported by the National Science Fund for Distinguished Young Scholars(no.22025207)the National Natural Science Foundation of China(project nos.22077122 and 21703252)+2 种基金the Innovation Research Community Science Fund(no.21821005)the National Natural Science Fund BRICS STI Framework Programme(no.51861145304)the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(CAS,grant no.QYZDB-SSW-JSC034).
文摘Supramolecular assembly of organic dye compounds with J-aggregation leads to a red-shifted absorption spectrum that greatly facilitates the construction of near-infrared(NIR)materials.A considerable improvement of the material functions requires that the absorption red-shift be larger than 100 nm,but such a super-large red-shift is challenging,and the rules leading to the super-large red-shifted absorption is still not explicit.In this review,we focused on those J-aggregated organic dye materials with super-large red-shifted absorption.The nature of the super-large red-shift is originated fromthe intermolecular charge transfer between neighboring chromophores.The super-large red-shift can be obtained by tuning either the molecular structure or kinetic assembly process in a delicate manner.Materials with super-large red-shifted absorption have been successfully applied to biological imaging,phototherapy,electronic devices,and solar cells,and show great potential in many other fields.The elaboration of assembly induced super-large red-shifted absorption is promising for design of supramolecular NIR materials with tuned structures,enhanced functionalities,and a wide array of applications.
文摘The hydrogen bonding interaction of formic acid-, formaldehyde-, formylfluoride-nitrosyl hydride complexes was investigated by the density functional theory （DFT） and ab inito method in conjunction with 6-311＋＋G（2d,2p） basis set. The geometries, vibrational frequencies and interaction energies of the complexes were calculated by both standard and CP-corrected methods respectively. Moreover, G3B3 method was employed to estimate the interaction energies. There are C--H…O, N--H…O, N--H…F blue-shifted H-bonds and red-shifted O----H…O H-bond in the complexes. Electron density redistribution and rehybridization contribute to the N--H and C--H blue shifts. All geometric reorganizations contribute to the N--H blue shifts and partial geometric reorganizations contribute to the C--H blue shifts. The geometric reorganizations of the complex C except ZH（5）-O（4）-C（1） contribute to the O----H red shift. For the N--H blue shifts, the effect of r（N--O） variation on the N--H blue shifts is larger than that of ZH-N-O variation. Rehybridization plays a dominant role in the degree of N--H blue shifts, whereas the electron density redistribution contributes more to the degree of C--H blue shifts than the other effects do.
文摘A series of novel luminescent materials, SrZnO2:M (M=Eu3+, or Eu3+ + Li+) have been synthesized by high-temperature solid-state reaction. The structure and luminescence properties of SrZnO2:Eu3+ phosphor were studied through XRD, photoluminescence and Raman spectroscopy. The excitation spectra show a broad intense band and a number of small peaks corresponding to the inner 4f-shell excitations of Eu3+ (the strongest one is at 395 nm for 7F0-5L6). After SrZnO2:Eu3+ phosphor was co-doped with Li+ ions, its charge transfer band extended to longer wavelengths. This resulted in increase of luminescent quantum efficiency of the sample. SrZnO2:Eu3+,Li+ phosphor can be efficiently excited by longer UV. From the fluorescence spectrum of SrZnO2:Eu3+ phosphor, apart from transition emissions of 5D0 → 7FJ (J=0~4), the transition emissions from 5D1 → 7FJ (J=0~2) have been observed. For the SrZnO2:Eu3+ phosphor, under excitation of UV, the dominant emission is at about 612 nm, due to the 5D0 → 7F2 hypersensitive transition. The incorporation of Li+ ions greatly enhanced the luminescence intensity and made emission peak from 5D0 → 7F2 transition red-shifted.
