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

Michael C. Thompson; Joshua H. Baraban; Devin A. Matthews; John F. Stanton; J. Mathias Weber

doi:10.1063/1.4922609

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

Michael C. Thompson, Joshua H. Baraban, Devin A. Matthews, John F. Stanton, J. Mathias Weber

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

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.

Original language	English
Article number	234304
Journal	Journal of Chemical Physics
Volume	142
Issue number	23
DOIs	https://doi.org/10.1063/1.4922609
State	Published - 21 Jun 2015
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions",

abstract = "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.",

author = "Thompson, {Michael C.} and Baraban, {Joshua H.} and Matthews, {Devin A.} and Stanton, {John F.} and Weber, {J. Mathias}",

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AU - Thompson, Michael C.

AU - Baraban, Joshua H.

AU - Matthews, Devin A.

AU - Stanton, John F.

AU - Weber, J. Mathias

PY - 2015/6/21

Y1 - 2015/6/21

N2 - 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.

AB - 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.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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ER -

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

Abstract

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