The B̃2Σ−g (Πu) ← X̃2A1 system of nitrogen dioxide in neon matrices

The $\text{B}\text{?}\text{←}\text{X}\text{?}$ band system of NO₂, ${}^2\text{Σ}{}^{\mathrm{?}}{}_{\mathrm{g}}\text{(π}{}_{\mathrm{u}}\text{) ←}{}^2\text{A}{}_1$, has been measured in absorption in a neon matrix at 6 K, using ¹⁵NO₂ and N¹⁸O₂ in addition to the normal isotope. The spectrum consists essentially of a single, long progression of bands terminating on successive levels of the bending mode in the upper state. Transitions to odd- and even-v₂′ states occur with a uniform intensity distribution indicating that the rotation of the bent ground state of NO₂ about its near-prolate axis is hindered in the matrix. The observations strongly suggest that the top axis of the molecule coincides with a C₂ axis of neon crystals in the polycrystalline matrix. Relative to the vapor absorption the matrix spectrum is red shifted by about 150 cm^?1, the crystal field parameter V₂ and principal constants of the $\text{B}\text{?}$ state of ¹⁴N¹⁶O₂ in neon being

$\text{T}{}_{010}\text{14 571 cm}{}^{\mathrm{?1}}\text{: x}{}_{22}\text{, ?0.3 cm}{}^{\mathrm{?1}}\text{;}$

$\text{w}{}_2\text{460.2 cm}{}^{\mathrm{?1}}\text{: V}{}_2\text{, 80 cm}{}^{\mathrm{?1}}\text{.}$

     

High-resolution laser spectroscopy of CaNH2: Analysis of the C̃2A1-X̃2A1 system

Laser excitation spectra of the $\text{C}\text{?}{}^2\text{A}{}_1\text{-}\text{X}\text{?}{}^2\text{A}{}_1$ system of CaNH₂ are reported. Due to the spectral density, individual lines could only be resolved and measured using a filtered fluorescence excitation technique, with a monochromator acting as an optical bandpass filter; 140 line positions were measured in this way and assigned to the parallel K_?1 = 1 subband of what is believed to be the vibrational 0-0 band. The molecular constants were determined from a weighted nonlinear least-squares fit of the line positions.

     

4.

Doppler-limited dye laser excitation spectroscopy of the 401 band of the Ã1A2-X̃1A1 system of D2CS     

《Journal of Molecular Spectroscopy》1987,126(1):29-31

     

5.

CCl自由基A 2Δ←X 2Π跃迁REMPI光谱研究     

程颐  杨家君  杨家君  樊建梅  从然  姚关心  崔执凤 《原子与分子物理学报》2009,26(4):793-797

在271-279 nm波长范围内采用REMPI技术研究CCl自由基的A 2Δ光谱。实验观察到12C35Cl以及同位素分子12C37Cl 的A 2Δ←X 2Π1/2,0-0,1-0和2-1跃迁谱带,其中2-1的跃迁为新观察到谱带。A 2Δ同三个排斥态2Π,2Σ-和4Π交叉,自旋轨道相互作用使得A 2Δ为预解离态。实验结果揭示υ"＝0态预解离要快于υ"＝1,2振动态。     

6.

CCl自由基A 2Δ←X 2Ⅱ跃迁REMPI光谱研究     

程颐  杨家君  樊建梅  从然  姚关心  郑贤锋  崔执凤 《原子与分子物理学报》2009,26(5)

在271～279 nm波长范围内采用REMPI技术研究CCl自由基的A 2Δ光谱.实验观察到12C35Cl以及同位素分子12C37Cl 的A 2Δ←X 2Ⅱ1/2,0-0,1-0和2-1跃迁谱带,其中2-1的跃迁为新观察到谱带.获得了A 2Δ←X 2Ⅱ1/2电子跃迁0-0,1-0,2-1谱带的同位素位移.     

7.

Polarization spectroscopy of Na2 A1Σu+-b3Πu ← X1Σg+ intercombination bands     

《Journal of Molecular Spectroscopy》1987,123(1):161-166

The A¹Σ_u⁺ ∼ b³Π_u perturbation of Na₂ in several high vibrational levels has been studied by polarization spectroscopy. Deperturbed molecular constants are given for the mutually interacting v_A = 26 ∼ v_b = 28 and v_A = 34 ∼ v_b = 34 vibrational levels.     

8.

The optical double resonance spectrum of the B̃1A1 state of Cl2CS     

《Journal of Molecular Spectroscopy》1986,115(1):74-81

     

9.

Ã-X̃ laser excitation spectroscopy of BrClCS and Br2CS at room temperature and in cold supersonic jets     

《Journal of Molecular Spectroscopy》1987,126(2):307-328

     

10.

NO(X2∏1/2,3/2)v=1←0塞曼跃迁谱及其特性研究     

郭远清  黄光明 《波谱学杂志》1999,16(6):477-484

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子²∏态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对¹⁴N¹⁶O(X²∏_1/2.3/2)及¹⁵N¹⁶O(X²∏_3/2)(v=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的g_J因子值和二级塞曼效应因子k₂.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

11.

NO(X2Π1/2,3/2)υ=1←0塞曼跃迁谱及其特性研究     

郭远清  刘红平  刘效庸  林洁丽  黄光明  高晖  李津蕊  李奉延  刘煜炎 《波谱学杂志》1999,16(6)

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子2П态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对14N16O(X2Π1/2,3/2)及15N16O(X2Π3/2) (υ=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的gJ因子值和二级塞曼效应因子k2.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正.验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

12.

The Ã-X̃ band system of acetylene: Bands of the short-wavelength region     

《Journal of Molecular Spectroscopy》1986,119(1):137-143

     

13.

The hyperfine structure in excitet electronic states of NO2: Analysis of N′ = 10 ← N″ = 00 transitions in the 2B2 ← 2A1 system     

《Journal of Molecular Spectroscopy》1987,123(2):356-365

     

14.

CF X2Π（υ＝1）远红外及NO X2Π（υ＝1←0）中红外激光磁共振光谱的标识     

郭远清  刘红平  林洁丽  刘效庸  黄光明  李奉延  李津蕊  刘煜炎 《光谱学与光谱分析》2001,21(1)

根据塞曼效应理论和激光磁共振 (LMR)光谱原理 ,本文建立了一套用于标识激光磁共振光谱的模型方法 ,并成功地对CFX2 Π(υ =1)远红外及NOX2 Π(υ =1← 0 )中红外激光磁共振光谱进行了标识。为新自由基分子的激光磁共振光谱提供了快速而准确的标识方法     

15.

Optically Forbidden Transition of A＇3Δu ← X3Σg-in Oxygen          下载免费PDF全文

朱林繁  徐卫青  孙建敏  张文耀 《中国物理快报》2010,27(11):59-61

The electron energy loss spectra for the valence-shell excitations of oxygen are measured at an incident electron energy of 2500 eV and at scattering angles from 4° to 8.5°. The dipole-forbidden and octupole-allowed transition of the A＇3Δu ←X3Σg- is observed from the measured spectra, and it is found that the peak profile of the A＇3Δu ←X3Σg^- excitation can be well represented by a Gaussin function. The energy position of 6.007±0.008 eV and Franck？Condon linewidth of 1.312±0.020 eV of the A＇3Δu ←X3Σg^-, which are independent of the scattering condition, have been determined for the first time. The peak profiles of the A＇3Δu ←X3Σg^- determined in this work provide a possibility to realize the spectral decomposition method of unfolding the Herzberg pseudocontinuum proposed by -ampbell ？t et al. [Phys. Rev. A 61 （2000） 022706]     

16.

Hyperfine coupling constants of NCO in Ã2Σ+ by sub-Doppler spectroscopy     

《Journal of Molecular Spectroscopy》1986,120(2):414-420

     

17.

State selective predissociation spectroscopy of hydrogen chloride ions (HCl+) via the A2Σ+ ← X2Π3/2 transition     

MARTIN PENNO  ANDREA HOLZWARTH  KARL-MICHAEL WEITZEL 《Molecular physics》2013,111(1-2):43-52

The photodissociation of hydrogen chloride ions (HCl⁺) has been investigated through the A²Σ⁺ (ν′ = 6, 7 and 8) ← X ²Π_3/2 (ν″ = 0) transition. The spectra reveal that state selective photodissociation with complete resolution of the spin, orbital, and rotational angular momentum is possible in the A ²Σ⁺ (ν′ = 6) state. The analysis of these spectra yields the rotational and the spin-rotation coupling constant of the A ²Σ⁺ (ν′ = 6) state. The lifetime of HCl⁺ decreases significantly with increasing vibrational excitation in the ²Σ⁺ state. Within the experimental error limits no J dependence of the lifetime is observerd. The state selective photodissociation of the HCl⁺ ions is also shown to be a very sensitive probe for unexpected parity transitions in the 2 + 1 REMPI formation of the HCl⁺ ions in the X 2Π_3/2 (ν″ = 0) state.     

18.

NO通过C2H←X2H跃迁的共振多光子离化谱     

张贵银  张连水  杨晓冬  孙博  赵晓辉 《光学学报》2004,24(5)

以皮秒Nd:YAG激光器抽运光学参变发生/放大器做激发源,得到了NO分子在490～580 nm波长范围内通过C2Ⅱ态共振增强的多光子离化谱,离化谱由有规则的谱线序列组成.将理论计算的峰值位置与实验结果进行比较,确定了离化通道为:NO(X2Ⅱ)3hv→NO(C2Ⅱ)-2hv(or hv)→NO++e,离化信号强度随激光强度的近五次方变化关系进一步验证了此结论.分析讨论了谱线强度的分布不符合夫兰克-康登原理的可能原因.根据谱线峰值位置,利用最小二乘法拟合获得NO分子C2Ⅱ态振动常数ω′e=(2354.9±6.4)cm-1ω′eX′e=(14.7±2.5)cm-1及平衡位置的力常数k=(2.44±0.08)×103N@m-1.结果可为用激光离化光谱技术探测大气污染物NO分子提供参考.     

19.

The magnetic circular dichroism spectrum of the 1 B 2u ←1 A 1g transition of benzene in the vapour phase     

I.N. Douglas  R. Grinter  A.J. Thomson 《Molecular physics》2013,111(5):1257-1266

The magnetic circular dichroism (MCD) spectrum of the ¹ B _2u ←¹ A _1g transition of benzene has been measured in the vapour phase. Many of the bands due to transitions between single vibronic levels display A terms. It has been shown that the angular momentum arises by vibronic mixing both of the ¹ E _1u state with the ¹ B _1u state and of the ¹ E _2g states with the ¹ A _1g ground state by e _2g vibrations. The magnitudes and signs of the experimental and calculated ratios, A/D, for the A ₀ ⁰ vibronic origin are in excellent agreement. Two strong MCD progressions of opposite sign with B-term dispersion have been observed in regions of low absorption. These are identified with vibronic origins due to the v ₈ and v ₉ e _2g modes. By contrast the MCD spectrum of hexadeuterobenzene vapour has a much lower magneto-rotational strength and displays none of the striking features of the benzene MCD spectrum.     

20.

Ab initio CI study of the vibrational structure of the 1 1Σ− (1 1 A″)←X and 1 1Δ (2 1 A′, 2 1 A″)←X electronic transitions in HCN and DCN     

M. Perić  R.J. Buenker  S.D. Peyerimhoff 《Molecular physics》2013,111(5):843-864

The results of an ab initio CI study of the vibrational/vibronic structure of the 1 ¹Σ^? (1 ¹ A″)←X and 1 ¹Δ (2 ¹ A′, 2 ¹ A″)←X electronic transitions in HCN and DCN are presented. Calculated band positions and intensity distributions within the band progressions are compared with corresponding experimental data. While the theoretical results for the 1A″←X transition reproduce well the structure of the observed A-X spectrum, they place doubt on the Bickel-Innes interpretation of the B-X band system in terms of transitions to the same excited electronic state but accompanied by excitation of a single quantum of the C?H stretching vibrational mode.     

		Main parameters
	$\text{X}\text{?}{}^2\text{A}{}_1$	$\text{C}\text{?}{}^2\text{A}{}_1$
$\text{T}{}_{\mathrm{k?1}}\text{= 1}$	3-	17375.129(5)
B	0.30079(6)	0.30562(6)
C	0.29319(6)	0.29789(8)
$\text{?}{}_{\mathrm{aa}}$	3-	?0.66(4)
$\text{?}{}_{\mathrm{bb}}$	3-	?0.0356(8)
$\text{?}{}_{\mathrm{cc}}$	3-	?0.0453(8)

CCl自由基A 2Δ←X 2Π跃迁REMPI光谱研究

在271-279 nm波长范围内采用REMPI技术研究CCl自由基的A 2Δ光谱。实验观察到12C35Cl以及同位素分子12C37Cl 的A 2Δ←X 2Π1/2,0-0,1-0和2-1跃迁谱带,其中2-1的跃迁为新观察到谱带。A 2Δ同三个排斥态2Π,2Σ-和4Π交叉,自旋轨道相互作用使得A 2Δ为预解离态。实验结果揭示υ"＝0态预解离要快于υ"＝1,2振动态。     

CCl自由基A 2Δ←X 2Ⅱ跃迁REMPI光谱研究

在271～279 nm波长范围内采用REMPI技术研究CCl自由基的A 2Δ光谱.实验观察到12C35Cl以及同位素分子12C37Cl 的A 2Δ←X 2Ⅱ1/2,0-0,1-0和2-1跃迁谱带,其中2-1的跃迁为新观察到谱带.获得了A 2Δ←X 2Ⅱ1/2电子跃迁0-0,1-0,2-1谱带的同位素位移.     

Polarization spectroscopy of Na2 A1Σu+-b3Πu ← X1Σg+ intercombination bands

The A¹Σ_u⁺ ∼ b³Π_u perturbation of Na₂ in several high vibrational levels has been studied by polarization spectroscopy. Deperturbed molecular constants are given for the mutually interacting v_A = 26 ∼ v_b = 28 and v_A = 34 ∼ v_b = 34 vibrational levels.     

NO(X2∏1/2,3/2)v=1←0塞曼跃迁谱及其特性研究

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子²∏态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对¹⁴N¹⁶O(X²∏_1/2.3/2)及¹⁵N¹⁶O(X²∏_3/2)(v=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的g_J因子值和二级塞曼效应因子k₂.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

NO(X2Π1/2,3/2)υ=1←0塞曼跃迁谱及其特性研究

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子2П态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对14N16O(X2Π1/2,3/2)及15N16O(X2Π3/2) (υ=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的gJ因子值和二级塞曼效应因子k2.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正.验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

CF X2Π（υ＝1）远红外及NO X2Π（υ＝1←0）中红外激光磁共振光谱的标识

根据塞曼效应理论和激光磁共振 (LMR)光谱原理 ,本文建立了一套用于标识激光磁共振光谱的模型方法 ,并成功地对CFX2 Π(υ =1)远红外及NOX2 Π(υ =1← 0 )中红外激光磁共振光谱进行了标识。为新自由基分子的激光磁共振光谱提供了快速而准确的标识方法     

Optically Forbidden Transition of A＇3Δu ← X3Σg-in Oxygen

The electron energy loss spectra for the valence-shell excitations of oxygen are measured at an incident electron energy of 2500 eV and at scattering angles from 4° to 8.5°. The dipole-forbidden and octupole-allowed transition of the A＇3Δu ←X3Σg- is observed from the measured spectra, and it is found that the peak profile of the A＇3Δu ←X3Σg^- excitation can be well represented by a Gaussin function. The energy position of 6.007±0.008 eV and Franck？Condon linewidth of 1.312±0.020 eV of the A＇3Δu ←X3Σg^-, which are independent of the scattering condition, have been determined for the first time. The peak profiles of the A＇3Δu ←X3Σg^- determined in this work provide a possibility to realize the spectral decomposition method of unfolding the Herzberg pseudocontinuum proposed by -ampbell ？t et al. [Phys. Rev. A 61 （2000） 022706]     

State selective predissociation spectroscopy of hydrogen chloride ions (HCl+) via the A2Σ+ ← X2Π3/2 transition

The photodissociation of hydrogen chloride ions (HCl⁺) has been investigated through the A²Σ⁺ (ν′ = 6, 7 and 8) ← X ²Π_3/2 (ν″ = 0) transition. The spectra reveal that state selective photodissociation with complete resolution of the spin, orbital, and rotational angular momentum is possible in the A ²Σ⁺ (ν′ = 6) state. The analysis of these spectra yields the rotational and the spin-rotation coupling constant of the A ²Σ⁺ (ν′ = 6) state. The lifetime of HCl⁺ decreases significantly with increasing vibrational excitation in the ²Σ⁺ state. Within the experimental error limits no J dependence of the lifetime is observerd. The state selective photodissociation of the HCl⁺ ions is also shown to be a very sensitive probe for unexpected parity transitions in the 2 + 1 REMPI formation of the HCl⁺ ions in the X 2Π_3/2 (ν″ = 0) state.     

NO通过C2H←X2H跃迁的共振多光子离化谱

以皮秒Nd:YAG激光器抽运光学参变发生/放大器做激发源,得到了NO分子在490～580 nm波长范围内通过C2Ⅱ态共振增强的多光子离化谱,离化谱由有规则的谱线序列组成.将理论计算的峰值位置与实验结果进行比较,确定了离化通道为:NO(X2Ⅱ)3hv→NO(C2Ⅱ)-2hv(or hv)→NO++e,离化信号强度随激光强度的近五次方变化关系进一步验证了此结论.分析讨论了谱线强度的分布不符合夫兰克-康登原理的可能原因.根据谱线峰值位置,利用最小二乘法拟合获得NO分子C2Ⅱ态振动常数ω′e=(2354.9±6.4)cm-1ω′eX′e=(14.7±2.5)cm-1及平衡位置的力常数k=(2.44±0.08)×103N@m-1.结果可为用激光离化光谱技术探测大气污染物NO分子提供参考.     

The magnetic circular dichroism spectrum of the 1 B 2u ←1 A 1g transition of benzene in the vapour phase

The magnetic circular dichroism (MCD) spectrum of the ¹ B _2u ←¹ A _1g transition of benzene has been measured in the vapour phase. Many of the bands due to transitions between single vibronic levels display A terms. It has been shown that the angular momentum arises by vibronic mixing both of the ¹ E _1u state with the ¹ B _1u state and of the ¹ E _2g states with the ¹ A _1g ground state by e _2g vibrations. The magnitudes and signs of the experimental and calculated ratios, A/D, for the A ₀ ⁰ vibronic origin are in excellent agreement. Two strong MCD progressions of opposite sign with B-term dispersion have been observed in regions of low absorption. These are identified with vibronic origins due to the v ₈ and v ₉ e _2g modes. By contrast the MCD spectrum of hexadeuterobenzene vapour has a much lower magneto-rotational strength and displays none of the striking features of the benzene MCD spectrum.     

Ab initio CI study of the vibrational structure of the 1 1Σ− (1 1 A″)←X and 1 1Δ (2 1 A′, 2 1 A″)←X electronic transitions in HCN and DCN

The results of an ab initio CI study of the vibrational/vibronic structure of the 1 ¹Σ^? (1 ¹ A″)←X and 1 ¹Δ (2 ¹ A′, 2 ¹ A″)←X electronic transitions in HCN and DCN are presented. Calculated band positions and intensity distributions within the band progressions are compared with corresponding experimental data. While the theoretical results for the 1A″←X transition reproduce well the structure of the observed A-X spectrum, they place doubt on the Bickel-Innes interpretation of the B-X band system in terms of transitions to the same excited electronic state but accompanied by excitation of a single quantum of the C?H stretching vibrational mode.