Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures

Kongsted, Jacob LU ; Hansen, A E ; Pedersen, Thomas LU ; Osted, A ; Mikkelsen, K V and Christiansen, Ove LU (2004) In Chemical Physics Letters 391(4-6). p.259-266
Abstract
We present an ab initio study of the n --> pi(*) 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 --> pi(*) electronic excitation energy and rotatory strength with the theoretical calculations. (C) 2004 Elsevier B.V. All rights reserved.
Please use this url to cite or link to this publication:
author
; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
391
issue
4-6
pages
259 - 266
publisher
Elsevier
external identifiers
  • wos:000222228000011
  • scopus:84962426335
ISSN
0009-2614
DOI
10.1016/j.cplett.2004.05.014
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
71a27d93-9883-4509-9e67-e8de56b9f76b (old id 139645)
date added to LUP
2016-04-01 16:17:18
date last changed
2023-01-04 22:41:45
@article{71a27d93-9883-4509-9e67-e8de56b9f76b,
  abstract     = {{We present an ab initio study of the n --> pi(*) 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 --> pi(*) electronic excitation energy and rotatory strength with the theoretical calculations. (C) 2004 Elsevier B.V. All rights reserved.}},
  author       = {{Kongsted, Jacob and Hansen, A E and Pedersen, Thomas and Osted, A and Mikkelsen, K V and Christiansen, Ove}},
  issn         = {{0009-2614}},
  language     = {{eng}},
  number       = {{4-6}},
  pages        = {{259--266}},
  publisher    = {{Elsevier}},
  series       = {{Chemical Physics Letters}},
  title        = {{A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures}},
  url          = {{http://dx.doi.org/10.1016/j.cplett.2004.05.014}},
  doi          = {{10.1016/j.cplett.2004.05.014}},
  volume       = {{391}},
  year         = {{2004}},
}