Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions

被引：2

作者：

Thompson, Michael C. ^{[1
,2
]}

Baraban, Joshua H. ^{[2
]}

Matthews, Devin A. ^{[3
]}

Stanton, John F. ^{[4
]}

Weber, J. Mathias ^{[1
,2
]}

机构：

[1] Univ Colorado, JILA, Boulder, CO 80309 USA

[2] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA

[3] Univ Texas Austin, Inst Computat Engn & Sci, Austin, TX 78712 USA

[4] Univ Texas Austin, Dept Chem Biochem, Austin, TX 78712 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 23期

基金：

美国国家科学基金会;

关键词：

ELECTRON AUTODETACHMENT; VALENCE; DIPOLE; SPECTROSCOPY; CH3NO2; STATES; PREDISSOCIATION; RESONANCES; CLUSTERS; BINDING;

D O I：

10.1063/1.4922609

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report infrared spectra of nitromethane anion, CH3NO2-, in the region 700-2150 cm(-1), obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states. (C) 2015 AIP Publishing LLC.

引用

页数：6

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