Reassignment of the vibrational spectrum of benzimidazole

Tomkinson J

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Reassignment of the vibrational spectrum of benzimidazole

机译：苯并咪唑振动光谱的重新分配

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A spectroscopic data on benzimidazole and benzimidazole-d(2), using inelastic neutron scattering spectroscopy, has revealed previously unobserved bands. These new observations are incorporated into a complete assignment of the benzimidazole spectrum and shown to agree well with ab initio calculations on the system. The new assignment scheme eigenvectors have been correlated to those of indole.

机译：关于苯并咪唑和苯并咪唑-d（2）的光谱数据，使用非弹性中子散射光谱法，揭示了以前未观察到的谱带。这些新的观察结果被并入苯并咪唑光谱的完整分配中，并显示出与系统中从头算的结果非常吻合。新的分配方案特征向量已与吲哚相关。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2008年第27期|共5页
作者
Tomkinson J;
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正文语种 eng
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关键词
INELASTIC NEUTRON-SCATTERING; RAMAN-SPECTROSCOPY; AB-INITIO; COMPLEXES; MOLECULES; DFT;

机译：弹性中子散射;拉曼光谱;AB-INIT;复合物;分子;DFT;

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1. Reassignment of the vibrational spectrum of benzimidazole [J] . Tomkinson J The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第27期

机译：苯并咪唑振动光谱的重新分配
2. Conformations, vibrational spectra and force field of 1-methyl-2-(2 '-pyridyl)benzimidazole: experimental data and density functional theory investigation in comparison with 2-(2 '-pyridyl)benzimidazole (vol 27, pg 221, 2016) [J] . Kuramshina G. M., Vakula O. A., Vakula N. I., Structural Chemistry . 2016,第1期

机译：1-甲基-2-（2'-吡啶基）苯并咪唑的结构，振动光谱和力场：与2-（2'-吡啶基）苯并咪唑的实验数据和密度泛函理论研究（第27卷，第221页，2016）
3. Vibrational spectroscopic investigations of M(benzimidazole)_2Ni(CN)_4 and Cd(benzimidazole)Cl_2 complexes [J] . Senay Yurdakul, Cevdet Yilmaz Vibrational Spectroscopy: An International Journal devoted to Applications of Infrared and Raman Spectroscopy . 1999,第1a2期

机译：M（苯并咪唑）_2Ni（CN）_4和Cd（苯并咪唑）Cl_2络合物的振动光谱研究
4. Spectrum reassignment in a class of vibrationally controlled linear systems with time delays [C] . Bentsman, J., Lehman, . 1988

机译：一类具有时滞的振动控制线性系统的频谱分配
5. Comparision of vibration recording parameters on power density spectrums. [D] . Sittipod, Sukasem. 1999

机译：功率密度谱上振动记录参数的比较。
6. On-The-Fly Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface [O] . Deepak Ojha, Thomas D. Kühne 2020

机译：空水界面处振动和频频谱的在飞行计算
7. Erratum to: Conformations, vibrational spectra and force field of 1-methyl-2-(2′-pyridyl)benzimidazole: experimental data and density functional theory investigation in comparison with 2-(2′-pyridyl)benzimidazole [O] . G. M. Kuramshina, O. A. Vakula, N. I. Vakula, 2015

机译：错误至：锥形，振动光谱和1-甲基-2-（2'-吡啶基）苯并咪唑的力场：实验数据和密度泛函理论研究与2-（2'-吡啶基）苯并咪唑比较
8. Spectroscopic Verification of the Theoretical Reassignment of H2O(+) A-State Vibrational Levels. [R] . Dressler, R. A., Arnold, S. T. 1995

机译：H2O（+）a态振动水平理论重新分配的光谱验证。

Reassignment of the vibrational spectrum of benzimidazole

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