TY - JOUR
T1 - Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties
AU - Berger, Raphael J.F.
AU - Rettenwander, Daniel
AU - Spirk, Stefan
AU - Wolf, Christian
AU - Patzschke, Michael
AU - Ertl, Martin
AU - Monkowius, Uwe
AU - Mitzel, Norbert W.
PY - 2012/11/28
Y1 - 2012/11/28
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84867946525&partnerID=8YFLogxK
U2 - 10.1039/c2cp43471g
DO - 10.1039/c2cp43471g
M3 - Article
C2 - 23072773
AN - SCOPUS:84867946525
SN - 1463-9076
VL - 14
SP - 15520
EP - 15524
JO - Physical Chemistry, Chemical Physics
JF - Physical Chemistry, Chemical Physics
IS - 44
ER -