Substituent Effects on the Low-Frequency Vibrational Modes of Benzoic Acid and Related Compounds
Well-resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm^-1 at room temperature with terahertz time-domain spectroscopy （THz-TDS）. These substances can be...
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| Published in | Chinese journal of chemistry Vol. 25; no. 3; pp. 272 - 277 |
|---|---|
| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Weinheim
WILEY-VCH Verlag
01.03.2007
WILEY‐VCH Verlag |
| Subjects | |
| Online Access | Get full text |
| ISSN | 1001-604X 1614-7065 |
| DOI | 10.1002/cjoc.200790054 |
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| Abstract | Well-resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm^-1 at room temperature with terahertz time-domain spectroscopy （THz-TDS）. These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory （DFT） method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds. |
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| AbstractList | Well‐resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm−1 at room temperature with terahertz time‐domain spectroscopy (THz‐TDS). These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory (DFT) method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds. Well‐resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH 3 , OH, NH 2 or NO 2 were reported in the frequency region between 6 and 67 cm −1 at room temperature with terahertz time‐domain spectroscopy (THz‐TDS). These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory (DFT) method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds. Well-resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm^-1 at room temperature with terahertz time-domain spectroscopy （THz-TDS）. These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory （DFT） method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds. |
| Author | 葛敏 赵红卫 王文锋 余笑寒 李文新 |
| AuthorAffiliation | Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China Graduate University of Chinese Academy of Sciences, Beijing 100049, China |
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| Cites_doi | 10.1016/S0079-6727(03)00058-2 10.1039/b009594j 10.1063/1.1695312 10.1023/A:1024476322147 10.1002/qua.10362 10.1021/jp0444565 10.1063/1.1774988 10.1002/bip.10106 10.1002/qua.10202 10.1007/s11426-006-0204-0 10.1063/1.1756862 10.1002/1521-3773(20001215)39:24<4485::AID-ANIE4485>3.0.CO;2-T 10.1088/0031-9155/47/21/319 10.1063/1.1802551 10.1016/S0009-2614(00)01271-9 10.1063/1.1530573 10.3866/PKU.WHXB20050924 10.1016/j.vibspec.2003.12.010 10.1016/S0009-2614(00)00227-X 10.1016/S0375-9601(03)00382-7 |
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| SubjectTerms | benzoic acid DFT substituent effect terahertz time-domain spectroscopy 低频振荡模 光谱性质 取代效应 生物分子 相关化合物 苯甲酸 |
| Title | Substituent Effects on the Low-Frequency Vibrational Modes of Benzoic Acid and Related Compounds |
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