On the Simulation of Low-Resolution Microwave Spectra of n-Propanol in the Gas Phase

被引：3
|
作者：
Kadjar, Ch. O. [1 ]
Ismailzadeh, G. I. [1 ]
Menzeleyev, M. R. [1 ]
Movsumov, I. Z. [1 ]
Kazimova, S. B. [1 ]
机构：
[1] Natl Acad Sci Azerbaijan, Inst Phys, 33 H Javid Ave, AZ-1143 Baku, Azerbaijan
来源：
Journal of Applied Spectroscopy | 2016年 / 83卷 / 03期
关键词：
low-resolution spectrum; microwave spectrum; molecular conformer; n-propanol; SPECTROSCOPY;
D O I：
10.1007/s10812-016-0298-x
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
Low-resolution spectra of n-propanol (CH3CH2CH2OH) are calculated for the two most stable trans-trans- and gauche-trans-conformations in the range 0-2 THz. The most probable frequency ranges of the spectral emission maxima of both conformations at equilibrium considering their statistical weights were 870-880 GHz for the transtrans- and 730-740 GHz for the gauche-trans-conformers. The spectral maxima of n-propanol are predicted to be located at 740-750 GHz according to the additive model of low-resolution microwave spectra.
引用
收藏
页码：379 / 382
页数：4
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