Theoretical study of infrared spectra for the Ar-N2O complex: Fundamental and combination bands

被引：4

作者：

Shi, Lipeng ^{[1
]}

Zhao, Aiqing ^{[1
]}

Wang, Hongli ^{[1
]}

Tian, Yanshan ^{[1
]}

Zheng, Rui ^{[1
]}

机构：

[1] North China Univ Water Resources & Elect Power, Sch Phys & Elect, Zhengzhou 450011, Henan, Peoples R China

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2019年 / 357卷

基金：

中国国家自然科学基金;

关键词：

Ar-N2O; Potential energy surfaces; Intermolecular vibrations; Fundamental and combination bands; DIODE-LASER SPECTROSCOPY; WAALS; PREDICTION;

D O I：

10.1016/j.jms.2019.01.004

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

In this work, we performed a theoretical study of fundamental and combination bands for the infrared spectra of the Ar-N2O complex based on high-precision potential energy surfaces and bound state calculations. We constructed three two-dimensional potential energy surfaces (PESs) for the ground and excited states of the Ar-N2O complex. The bound state calculations were performed to determine the energies of rotational and intermolecular vibrational levels for this complex. Based on the results of the bound state calculations, we provide predictions for the infrared spectra of the Ar-N2O complex, including the fundamental and combination bands in the nu(1) and nu(3) regions of the N2O monomer. The theoretical results are in excellent agreement with experimental data, so our predicted results could be helpful to further investigate the infrared spectrum of van der Waals complex Ar-N2O. (C) 2019 Elsevier Inc. All rights reserved.

引用

页码：24 / 31

页数：8

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