Conformational changes accompanying electronic excitation of trifluoronitrosomethane | Zendy

R D Gordon | Zendy; Sarat C. Dass | Zendy; J.R. Robins | Zendy; H. F. Shurvell | Zendy; Rodger F. Whitlock | Zendy

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Conformational changes accompanying electronic excitation of trifluoronitrosomethane

Author(s) -

R D Gordon,

Sarat C. Dass,

J.R. Robins,

H. F. Shurvell,

Rodger F. Whitlock

Publication year - 1976

Publication title -

canadian journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.323

H-Index - 68

eISSN - 1480-3291

pISSN - 0008-4042

DOI - 10.1139/v76-375

Subject(s) - chemistry , excited state , conformational isomerism , ground state , excitation , oxygen atom , crystallography , electronic structure , atom (system on chip) , atomic physics , gas phase , computational chemistry , molecule , organic chemistry , physics , computer science , electrical engineering , embedded system , engineering

The 690 nm absorption spectrum of CF 3 NO has been studied in the gas phase at various temperatures and in the condensed phase at 77 K, and assigned to an (nπ*) transition. Analysis of the vibrational structure shows that, while only the eclipsed conformer is stable in the ground state, there are two stable isomers of comparable energy in the excited electronic state. One has an eclipsed conformation, but with the CF 3 group tilted away from the oxygen atom. The other has a staggered conformation. In both of the excited state isomers the barrier to internal rotation is higher than in the ground state.

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