The diradical (CH3)2CHN and its isomeric molecule (CH3)2C=HN: Generation and characterization

Sun Zheng; Wang Dong; Ding Rui; Ge Maofa; Wang Dianxun; Chau Foo-Tim; Kam Wah Mok

doi:10.1063/1.1577316

The diradical (CH₃)₂CHN and its isomeric molecule (CH₃)₂C=HN: Generation and characterization

Sun Zheng, Wang Dong, Ding Rui, Ge Maofa, Wang Dianxun, Chau Foo-Tim, Kam Wah Mok

Research output: Journal article publication › Journal article › Academic research › peer-review

7 Citations (Scopus)

Abstract

An overview is given of the new experimental conditions that allowed to generate the short-lived species, as well as the PE spectra of the diradical (CH3)2C=NH which results from isomerization. In order to assign the PE bands, G2 and improved density functional theory (DFT) calculations are performed. The assignment of the PE spectrum is based on the Koopmans approximation to an ab initio self-consistent field calculation applying a 6-31G** basis set.

Original language	English
Pages (from-to)	293-299
Number of pages	7
Journal	Journal of Chemical Physics
Volume	119
Issue number	1
DOIs	https://doi.org/10.1063/1.1577316
Publication status	Published - 1 Jul 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1577316

http://hdl.handle.net/10397/5107

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AU - Mok, Kam Wah

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The diradical (CH₃)₂CHN and its isomeric molecule (CH₃)₂C=HN: Generation and characterization

Abstract

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