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Relativistic Effects in Triphenylbismuth and Their Influence on Molecular Structure and Spectroscopic Properties

Raphael J F Berger, Daniel Rettenwander, Stefan Spirk, Christian Wolf, Michael Patzschke, Martin Ertl, Uwe Monkowius, Norbert W Mitzel

Phys Chem Chem Phys. 2012 Nov 28;14(44):15520-4.

PMID: 23072773

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.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP603338 Triphenylbismuth Triphenylbismuth 603-33-8 Price
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