Title of article
A coupled cluster study of the oriented circular dichroism of the n→π∗ electronic transition in cyclopropanone and natural optical active related structures
Author/Authors
Kongsted، نويسنده , , Jacob and Hansen، نويسنده , , Aage E. and Pedersen، نويسنده , , Thomas Bondo and Osted، نويسنده , , Anders and Mikkelsen، نويسنده , , Kurt V. and Christiansen، نويسنده , , Ove، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
8
From page
259
To page
266
Abstract
We present an ab initio study of the n→π∗ electronic excitation energy together with the corresponding oscillator strength and rotatory strength tensor for two optically active cyclopropanone related structures: S,S-dimethylcyclopropanone and R,R-t-butylcyclopropanone. We discuss and compare the available experimental data for the n→π∗ electronic excitation energy and rotatory strength with the theoretical calculations.
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1784755
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