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Electronic absorption spectra for free hydrazyl radicals, their ionic forms and initial hydrazines
Author(s) -
Gubanov V. A.,
Pereliaeva L. A.,
Chirkov A. K.,
Yastchenko G. N.,
Matevosian R. O.
Publication year - 1971
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560050505
Subject(s) - ionic bonding , radical , chemistry , absorption spectroscopy , linear combination of atomic orbitals , molecule , absorption (acoustics) , spectral line , electronic structure , computational chemistry , photochemistry , molecular electronic transition , atomic electron transition , chemical physics , ion , materials science , molecular orbital , organic chemistry , optics , physics , astronomy , composite material
The results of the calculations of π–π * transition energies of some free hydrazyl radicals, their ionic forms and initial hydrazines by the SCF – MO – LCAO method with restricted configuration interaction are presented. The comparison of the data obtained with the electronic spectra experimentally found, revealed that the absorption of radical solutions in the visible area was due to the electronic structure of radical molecules, the contribution of ionic forms to the absorption being negligible.