Affordable Access

Publisher Website

Electronic spectra and structures of 2,3-benzotropone, 4,5-benzotropone, and 4,5-naphthotropone

Authors
Journal
Journal of Molecular Spectroscopy
0022-2852
Publisher
Elsevier
Publication Date
Volume
21
Identifiers
DOI: 10.1016/0022-2852(66)90150-0

Abstract

Abstract State energies, transition moments and reactivity indices for 2,3-benzotropone, 4,5-benzotropone, and 4,5-naphthotropone are calculated by the semiempirical SCF MO method including interactions of all singly excited configurations. The calculated values of state energies are in good agreement with the observed values. The moments of the first and second π−π ∗ transitions for these molecules are perpendicular or nearly perpendicular and parallel or nearly parallel, respectively, to the CO bond. For 4,5-benzotropone the variations of the state energies are investigated by changing the values of the ionization potential I μ and resonance integral β μν .

There are no comments yet on this publication. Be the first to share your thoughts.

Statistics

Seen <100 times
0 Comments

More articles like this

Syntheses and spectra of [η5-(C5H4COOCH3)]Cr(NO)2L...

on Journal of Organometallic Chem... Jan 01, 1991

Raman spectra of (CH3)4NOH.5H2O and (CH3)4NI

on Spectrochimica Acta Part A Mol... Jan 01, 1972

Magnetic properties and electronic structures of i...

on Journal of Physics Condensed M... Jun 02, 2010

Electronic structures and origin of intrinsic lumi...

on Journal of Alloys and Compound...
More articles like this..