Cyanomethylene radical(HCCN)is an important intermediate in the nitrile chemistry in both the earth’s and the Titan’s atmosphere.Despite that the mechanism for the oxidation of HCCN has been already computationally ...Cyanomethylene radical(HCCN)is an important intermediate in the nitrile chemistry in both the earth’s and the Titan’s atmosphere.Despite that the mechanism for the oxidation of HCCN has been already computationally explored,the key Criegee intermediate,NCC(H)OO,remains unobserved yet.By photolyzing mixtures(1:50:1000)of either HC(N2)CN/O2/N2(266 nm)or HCCNCO/O2/N2(193 nm)at 15.0 K,the elusive carbonyl oxides NCC(H)OO,in syn-and anti-conformations,have been generated and characterized with IR spectroscopy.The spectroscopic identification is supported by ^18O-labeling experiments and the quantum chemical calculations at the BP86/6-311++G(3df,3pd)level.Upon subsequent UV-light irradiation,both conformers of NCC(H)OO further react with O2 and yield NCC(O)H and O3,whereas,the dioxirane isomer HC(O2)CN,which is lower than syn-NCC(H)OO by 23.7 kcal/mol at the CCSD(T)-F12a/aug-cc-pVTZ//BP86/6-311++G(3df,3pd)level,was not observed experimentally.展开更多
For cooled 320 × 240 detector with staring focal plane array, a novel middle infrared athermal optical system is presented. The system is composed of 5 spherical lenses. The materials of lenses are silicon and ge...For cooled 320 × 240 detector with staring focal plane array, a novel middle infrared athermal optical system is presented. The system is composed of 5 spherical lenses. The materials of lenses are silicon and germanium. The optical parameters and modulation transfer function （MTF） are investigated. The system has the diffraction limited image quality and stable image plane from -30 ℃ to 70 ℃. The characteristic parameters of the system are as follows：flnumber of 4, cold shield efficiency of 100%, spectrum region of 3.7-4.8 μm and transmissivity of 80%. The system has the merits of simple structure, low price, and it is easy to machining.展开更多
The goal of this study was to use Fourier transform mid-infrared （FTIR） spectroscopy for discrimination of samples of pods and seeds of carob from three Moroccan regions. The origin of samples Pods and seeds of caro...The goal of this study was to use Fourier transform mid-infrared （FTIR） spectroscopy for discrimination of samples of pods and seeds of carob from three Moroccan regions. The origin of samples Pods and seeds of carob could be distinguished from their IR spectra and this measurement was used for discriminate analysis. A multivariate analysis procedure based on the combined use of Hierarchical Cluster Aanalysis （HCA） and Partial Least Squares-Discriminant Analysis （PLS-DA） was tested and provided good classification results. Three distinctive clusters were recognised, related to the three Moroccan regions. Afterwards, PLS-DA was used for the discrimination and classification of the origin of the various Pods and seeds of carob samples. The results demonstrated that the combined use of FTIR and chemometric analysis （cluster analysis and discrimination by PLS- DA） can be used to rapidly and simply determine the origin of carob pulpe samples.展开更多
Optical frequency combbased Fourier transform spectroscopy has the features of broad spectral bandwidth,high sensitivity,andmultiplexed trace gas detection,which has valuable application potential in the fields of pre...Optical frequency combbased Fourier transform spectroscopy has the features of broad spectral bandwidth,high sensitivity,andmultiplexed trace gas detection,which has valuable application potential in the fields of precision spectroscopy and trace gas detection.Here,we report the development of a mid-infrared Fourier transform spectrometer based on an optical frequency comb combined with a Herriott-type multipass cell.Using this instrument,the broadband absorption spectra of several important molecules,including methane,acetylene,water molecules and nitrous oxide,are measured by near real-time data acquisition in the 2800-3500 cm^(-1)spectral region.The achieved minimum detectable absorption of the instrument is 4.4×10^(-8)cm^(-1)·Hz^(-1/2)per spectral element.Broadband spectra of H_(2)0 are fited using the Voigt profile multispectral fitting technique and the consistency of the concentration inversion is 1%.Our system also enables precise spectroscopic measurements,and it allows the determination of the spectral line positions and upper state constants of N_(2)O in the(0002)-(1000)band,with results in good agreement with those reported by Toth[Appl.Opt.30,5289(1991)].展开更多
基金supported by the National Natural Science Foundation of China (No.21673147).
文摘Cyanomethylene radical(HCCN)is an important intermediate in the nitrile chemistry in both the earth’s and the Titan’s atmosphere.Despite that the mechanism for the oxidation of HCCN has been already computationally explored,the key Criegee intermediate,NCC(H)OO,remains unobserved yet.By photolyzing mixtures(1:50:1000)of either HC(N2)CN/O2/N2(266 nm)or HCCNCO/O2/N2(193 nm)at 15.0 K,the elusive carbonyl oxides NCC(H)OO,in syn-and anti-conformations,have been generated and characterized with IR spectroscopy.The spectroscopic identification is supported by ^18O-labeling experiments and the quantum chemical calculations at the BP86/6-311++G(3df,3pd)level.Upon subsequent UV-light irradiation,both conformers of NCC(H)OO further react with O2 and yield NCC(O)H and O3,whereas,the dioxirane isomer HC(O2)CN,which is lower than syn-NCC(H)OO by 23.7 kcal/mol at the CCSD(T)-F12a/aug-cc-pVTZ//BP86/6-311++G(3df,3pd)level,was not observed experimentally.
文摘For cooled 320 × 240 detector with staring focal plane array, a novel middle infrared athermal optical system is presented. The system is composed of 5 spherical lenses. The materials of lenses are silicon and germanium. The optical parameters and modulation transfer function （MTF） are investigated. The system has the diffraction limited image quality and stable image plane from -30 ℃ to 70 ℃. The characteristic parameters of the system are as follows：flnumber of 4, cold shield efficiency of 100%, spectrum region of 3.7-4.8 μm and transmissivity of 80%. The system has the merits of simple structure, low price, and it is easy to machining.
文摘The goal of this study was to use Fourier transform mid-infrared （FTIR） spectroscopy for discrimination of samples of pods and seeds of carob from three Moroccan regions. The origin of samples Pods and seeds of carob could be distinguished from their IR spectra and this measurement was used for discriminate analysis. A multivariate analysis procedure based on the combined use of Hierarchical Cluster Aanalysis （HCA） and Partial Least Squares-Discriminant Analysis （PLS-DA） was tested and provided good classification results. Three distinctive clusters were recognised, related to the three Moroccan regions. Afterwards, PLS-DA was used for the discrimination and classification of the origin of the various Pods and seeds of carob samples. The results demonstrated that the combined use of FTIR and chemometric analysis （cluster analysis and discrimination by PLS- DA） can be used to rapidly and simply determine the origin of carob pulpe samples.
基金supported by the National Natural Science Foundation China(No.42022051,No.U21A2028)Youth Innovation Promotion Association of the Chinese Academy of Sciences(No.Y202089)the HFIPS Director's Fund(No.YZJJ202101,No.BJPY2023A02).
文摘Optical frequency combbased Fourier transform spectroscopy has the features of broad spectral bandwidth,high sensitivity,andmultiplexed trace gas detection,which has valuable application potential in the fields of precision spectroscopy and trace gas detection.Here,we report the development of a mid-infrared Fourier transform spectrometer based on an optical frequency comb combined with a Herriott-type multipass cell.Using this instrument,the broadband absorption spectra of several important molecules,including methane,acetylene,water molecules and nitrous oxide,are measured by near real-time data acquisition in the 2800-3500 cm^(-1)spectral region.The achieved minimum detectable absorption of the instrument is 4.4×10^(-8)cm^(-1)·Hz^(-1/2)per spectral element.Broadband spectra of H_(2)0 are fited using the Voigt profile multispectral fitting technique and the consistency of the concentration inversion is 1%.Our system also enables precise spectroscopic measurements,and it allows the determination of the spectral line positions and upper state constants of N_(2)O in the(0002)-(1000)band,with results in good agreement with those reported by Toth[Appl.Opt.30,5289(1991)].
