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硝酸中ν8 + ν9与暗态ν6 + ν7之间非谐共振的红外分析

Infrared Analysis of the Anharmonic Resonance between nu8 + nu9 and the Dark State nu6 + nu7 of HNO3.

作者信息

Wang WF, Ong PP, Tan TL, Looi EC, Teo HH

机构信息

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

出版信息

J Mol Spectrosc. 1997 Jun;183(2):407-13. doi: 10.1006/jmsp.1997.7294.

Abstract

The high-resolution FTIR spectrum of the nu8 + nu9 band of HNO3 around 1205 cm-1 has been measured and analyzed. The bright state was found to be strongly perturbed by its neighboring dark state nu6 + nu7 at the coincident levels. Taking account of the DeltaK = ±2 anharmonic resonance, a simultaneous fit of nu8 + nu9 and nu6 + nu7 was performed leading to a good reproduction of the nu8 + nu9 band with a rms uncertainty of 0.00046 cm-1 . A set of rovibrational constants for nu8 + nu9 were accurately determined, while for nu6 + nu7 the rotational constant B and the band origin were obtained.

摘要

已测量并分析了硝酸在1205厘米-1附近的ν8 + ν9带的高分辨率傅里叶变换红外光谱。发现明亮态在重合能级处受到其相邻暗态ν6 + ν7的强烈扰动。考虑到ΔK = ±2非谐共振,对ν8 + ν9和ν6 + ν7进行了同时拟合,从而以0.00046厘米-1的均方根不确定度很好地再现了ν8 + ν9带。精确确定了一组ν8 + ν9的振转常数,同时获得了ν6 + ν7的转动常数B和谱带起源。

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