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DCOOD的ν4谱带的傅里叶变换红外光谱

FTIR Spectrum of the nu4 Band of DCOOD.

作者信息

Tan TL, Goh KL, Ong PP, Teo HH

机构信息

Faculty of Science, National University of Singapore, Lower Kent Ridge Road, 119260, Singaporee

出版信息

J Mol Spectrosc. 1999 Jun;195(2):324-327. doi: 10.1006/jmsp.1999.7821.

Abstract

The FTIR spectrum of the nu4 band of deuterated formic acid (DCOOD) has been measured with a resolution of 0.004 cm-1 in the frequency range of 1120 to 1220 cm-1. A total of 1866 assigned transitions have been analyzed and fitted using a Watson's A-reduced Hamiltonian in the Ir representation to derive rovibrational constants for the upper state (v4 = 1) with a standard deviation of 0.00036 cm-1. In the course of the analysis, the constants for the ground state were improved by a simultaneous fit of microwave frequencies and combination differences from the infrared measurements. Due to the relatively unperturbed nature of the band, the constants can be used to accurately calculate the infrared line positions for the whole band. Although the band is a hybrid type A and B, only a-type transitions were strong enough to be observed. The band center is at 1170.79980 +/- 0.00002 cm-1. Copyright 1999 Academic Press.

摘要

已在1120至1220厘米-1的频率范围内,以0.004厘米-1的分辨率测量了氘代甲酸(DCOOD)的ν4带的傅里叶变换红外光谱。使用Ir表示中的沃森A简化哈密顿量对总共1866个指定跃迁进行了分析和拟合,以得出上态(v4 = 1)的振转常数,标准偏差为0.00036厘米-1。在分析过程中,通过同时拟合微波频率和红外测量的组合差值,改进了基态常数。由于该谱带相对未受扰动的性质,这些常数可用于精确计算整个谱带的红外谱线位置。尽管该谱带是A和B混合型,但只有a型跃迁足够强才能被观测到。谱带中心位于1170.79980 +/- 0.00002厘米-1。版权所有1999年学术出版社。

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