Infrared spectroscopic and theoretical study of the HCnO+(n=5-12) cations

Li, Wei

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https://hdl.handle.net/2142/96792 Copy

Description

Title

Infrared spectroscopic and theoretical study of the HCnO+(n=5-12) cations

Author(s)

Li, Wei

Contributor(s)

• Zhou, Mingfei
• Wang, Guanjun
• Jin, Jiaye

Issue Date

2017-06-23

Keyword(s)

Planetary atmospheres

Abstract

Carbon chains and derivatives are highly active species, which are widely existed as reactive intermediates in many chemical processes including atmospheric chemistry, hydrocarbon combustion, as well as interstellar chemistry. The carbon chain cations, chem{HC_nO^+} (n = 5-12) are produced via pulsed laser vaporization of a graphite target in supersonic expansions containing carbon monoxide and hydrogen. The infrared spectra are measured via mass-selected infrared photodissociation spectroscopy of the CO “tagged” [chem{HC_nO}·CO] cation complexes in the 1600-3500 wn region. The geometries and electronic ground states of these cation complexes are determined by their infrared spectra in conjunction with theoretical calculations. All the chem{HC_nO^+} (n = 5-12) core cations are characterized to be linear carbon chain derivatives terminated by hydrogen and oxygen. The chem{HC_nO^+} cations with odd n have closed-shell singlet ground states with polyyne-like structures, while those with even n have triplet ground states with allene-like structures.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96792

DOI

https://doi.org/10.15278/isms.2017.FA09

Copyright and License Information

Copyright 2017 Wei Li

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