Vibrational band assignment of 2-ethyl-1-hexanol

Clasp Trocia N.; Reeve Scott W.; Koizumi Hideya

首页> 外文期刊>Journal of theoretical & computational chemistry >Vibrational band assignment of 2-ethyl-1-hexanol

【24h】

Vibrational band assignment of 2-ethyl-1-hexanol

机译：2-乙基-1-己醇的振动谱带分配

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The vibrational structure of 2-ethyl-1-hexanol is of great interest because of its industrial and military applications. However, detailed spectral analysis is challenging due to its flexibility. This paper reports a detailed analysis of the gas and liquid phase vibrational spectra of 2-ethyl1-hexanol using the Fourier transform infrared spectroscopy and Raman experimental data. By performing a detailed exploration of the conformational space in this work, the theoretical spectra reproduced almost all experimental details observed, and assigned internal valence coordinates to all of the experimentally observed bands in the floppy 2-ethyl-1-hexanol molecule. Relative contributions from the various internal valence coordinates to the experimental vibrational bands are directly compared between the liquid phase Raman band and the gas and liquid phase infrared band.

机译：2-乙基-1-己醇的振动结构因其工业和军事应用而备受关注。然而，由于其灵活性，详细的光谱分析具有挑战性。本文利用傅里叶变换红外光谱和拉曼实验数据对2-乙基1-己醇的气相和液相振动谱进行了详细分析。通过对构象空间的详细探索，理论谱图再现了几乎所有观察到的实验细节，并为软盘2-乙基-1-己醇分子中所有实验观察到的条带分配了内部价坐标。直接比较了液相拉曼波段与气相和液相红外波段之间各种内部价坐标对实验振动波段的相对贡献。

著录项

来源
《Journal of theoretical & computational chemistry》 |2017年第3期|共15页
作者
Clasp Trocia N.; Reeve Scott W.; Koizumi Hideya;
展开▼
作者单位

Arkansas State Univ, Dept Chem & Phys, Jonesboro, AR 72401 USA;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类物理化学（理论化学）、化学物理学;
关键词
Conformational analysis; DFT calculations; vibrational spectroscopy;

机译：构象分析;DFT计算;振动光谱;

相似文献

外文文献
中文文献
专利

1. Band head spin assignment of superdeformed bands in Hg isotopes through power index formula [J] . Honey Sharma, H.M.Mittal 中国物理C（英文版） . 2018,第5期
2. Band head spin assignment of superdeformed bands in 86Zr [J] . Anshul Dadwal, H.M.Mittal 中国物理C（英文版） . 2016,第11期
3. The vibrational assignment for theAthinsp;2Pgr;ndash;Xthinsp;2Sgr;+band system of the SiN radical: The 0ndash;0 bands of29SiN and30SiN [J] . Chikashi Yamada, Eizi Hirota, Satoshi YamamotoShuji Saito journal of chemical physics . 1988,第1期

机译：The vibrational assignment for theAthinsp;2Pgr;ndash;Xthinsp;2Sgr;+band system of the SiN radical: The 0ndash;0 bands of29SiN and30SiN
4. Isotopic substitution shifts in methane and vibrational band assignment in the 5560-6200 cm(-1) region [J] . Nikitin AV, Mikhailenko S, Morino IYokota TKumazawa RWatanabe T Journal of Quantitative Spectroscopy & Radiative Transfer . 2009,第12期

机译：Isotopic substitution shifts in methane and vibrational band assignment in the 5560-6200 cm(-1) region
5. ChemInform Abstract: Solvent‐Solute Interactions Probed by Picosecond Transient Raman Spectroscopy: Band Assignments and Vibrational Dynamics of S1 trans‐4, 4′‐Diphenylstilbene. [J] . R. M. BUTLER, M. A. LYNN, T. L. GUSTAFSON Chem Inform . 1993,第27期

机译：ChemInform Abstract: Solvent‐Solute Interactions Probed by Picosecond Transient Raman Spectroscopy: Band Assignments and Vibrational Dynamics of S1 trans‐4, 4′‐Diphenylstilbene.
6. Vibration characteristic analysis of spot-welding robot based on ADAMS/Vibration [C] . Luo Haitao, Liu Yuwang, Wang Hongguang, 2011 International Conference on Electronic Mechanical Engineering and Information Technology . 2011

机译：基于ADAMS / Vibration的点焊机器人振动特性分析
7. RevolutionärInnen am Fließband: A Comparative Gendered Analysis of the 1973 Pierburg and Ford Migrant Labor Strikes [D] . Norquist, Jordan Faith 2019

机译：RevolutionärInnenamFließband：1973年Pierburg和福特农民工罢工的对比性别分析
8. Beta-Band Functional Connectivity is Reorganized in Mild Cognitive Impairment after Combined Computerized Physical and Cognitive Training [O] . Manousos A. Klados, Charis Styliadis, Christos A. Frantzidis, 2016

机译：结合计算机物理和认知训练后Band-Band功能连接在轻度认知障碍中得以重组
9. Multi-Phonon $\gamma$-Vibrational Bands and the Triaxial Projected Shell Model [O] . Sun, Yang, Hara, Kenji, Sheikh, Javid A., 1999

机译：多声子$ \ gamma $ -Vibrational Bands和Triaxial projected shell 模型
10. INTERIM DEVELOPMENT REPORT NO, 8 FREQUENCY CONVERTER UNITS FOR L-BAND, S-BAND, C-BAND, AND X-BAND [R] . 1964

机译：中期发展报告NO，8个频率转换器单元用于L-BaND，s-BaND，C-BaND和X-BaND

Vibrational band assignment of 2-ethyl-1-hexanol

摘要

著录项

相似文献

相关主题

期刊订阅