Open AccessThe 2980 Å Absorption Spectrum of 1,2,5-Selenadiazole
Author(s) -
A. W. Richardson
Publication year - 1974
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/v74-014
Subject(s) - planarity testing , chemistry , ring (chemistry) , excited state , bending , absorption spectroscopy , absorption (acoustics) , planar , vibration , plane (geometry) , atomic physics , molecular physics , computational chemistry , crystallography , geometry , quantum mechanics , physics , optics , thermodynamics , organic chemistry , computer graphics (images) , mathematics , computer science
The u.v. absorption spectrum of 1,2,5-selenadiazole in the 3050–2600 Å region has been recorded and, by analogy to previous studies of furazan (1,2,5-oxadiazole) and 1,2,5-thiadiazole, an interpretation of the spectrum in terms of an allowed electronic transition involving primarily activity of ν 5 , a symmetric ring in-plane bending vibration, and ν 10 , a ring out-of-plane bending vibration, has been made. This analysis indicates that the excited state is non-planar, and the barrier to planarity has been calculated to be in the order of 115 cm −1 .