Issue 44, 2012
From the journal:

Physical Chemistry Chemical Physics

Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties†

Raphael J. F. Berger,*a   Daniel Rettenwander,a   Stefan Spirk,b   Christian Wolf,c   Michael Patzschke,d   Martin Ertl,e   Uwe Monkowius*e  and  Norbert W. Mitzel*f  

* Corresponding authors

a Fachbereich für Materialwissenschaften und Physik, Paris–Lodron Universität Salzburg, Hellbrunnerstr. 34, A–5020 Salzburg, Austria
E-mail: raphael.berger@sbg.ac.at

b Institute of Engineering Materials and Design, Smetanova 17, University of Maribor, Maribor, Slovenia
E-mail: stefan_spirk@yahoo.de

c Joanneum Research, Materials, Institute for Surface Technologies and Photonics, Steyrergasse 17–19, A–8010 Graz, Austria

d Department of Chemistry, Laboratory for Instruction in Swedish, University of Helsinki, A.I. Virtanens Plats 1, P.O. Box 55, FI–00014 University of Helsinki, Finland

e Institut für Anorganische Chemie, Johannes Kepler Universität Linz, Altenbergerstr. 69, 4040 Linz, Austria
E-mail: uwe.monkowius@jku.at

f Universität Bielefeld, Fakultät für Chemie, Lehrstuhl für Anorganische Chemie und Strukturchemie, Universitätsstraße 25, 33615 Bielefeld, Germany
E-mail: mitzel@uni-bielefeld.de

Abstract

Relativistic effects in triphenylbismuth have been investigated using a combined experimental and theoretical approach. The influence of these effects on the molecular structure (determined by gas electron diffraction) has been evaluated by means of quantum chemical calculations which consider scalar-relativistic and relativistic effects causing electronic spin–orbit coupling. Besides the molecular structure, different types of spectroscopic techniques (IR, NMR, UV-vis) have been applied and their results have been set in contrast with the results derived from quantum chemical calculations.

Graphical abstract: Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties

About
Cited by
Related
Download options Please wait...

Supplementary files

Article information

DOI
https://doi.org/10.1039/C2CP43471G
Article type
Paper
Submitted
02 Oct 2012
Accepted
05 Oct 2012
First published
08 Oct 2012

Phys. Chem. Chem. Phys., 2012,14, 15520-15524

Permissions

Request permissions

Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties

R. J. F. Berger, D. Rettenwander, S. Spirk, C. Wolf, M. Patzschke, M. Ertl, U. Monkowius and N. W. Mitzel, Phys. Chem. Chem. Phys., 2012, 14, 15520 DOI: 10.1039/C2CP43471G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements