Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties.
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.
Fachbereich für Materialwissenschaften und Physik, Paris-Lodron Universität Salzburg, Hellbrunnerstr. 34, A-5020 Salzburg, Austria. raphael.berger@sbg.ac.at
Raphael J F
RJ
Berger
Daniel
D
Rettenwander
Stefan
S
Spirk
Christian
C
Wolf
Michael
M
Patzschke
Martin
M
Ertl
Uwe
U
Monkowius
Norbert W
NW
Mitzel
D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet; D013730:Terphenyl Compounds / Q000737:chemistry*
D009942:Organometallic Compounds; D013730:Terphenyl Compounds; C076672:triphenyl bismuth