On the complementarity of ECD and VCD techniques

Valentin Paul Nicu; Attila Mándi; Tibor Kurtán; Prasad L Polavarapu

doi:10.1002/chir.22330

On the complementarity of ECD and VCD techniques

Chirality. 2014 Sep;26(9):525-31. doi: 10.1002/chir.22330. Epub 2014 May 10.

Authors

Valentin Paul Nicu¹, Attila Mándi, Tibor Kurtán, Prasad L Polavarapu

Affiliation

¹ Theoretical Chemistry, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.

PMID: 24816868
DOI: 10.1002/chir.22330

Abstract

An unprecedented complementarity of electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopic techniques is demonstrated by showing that each technique reveals the structure of a different molecular segment. Using a flexible molecule of biological significance we show that the synergetic use of ECD and VCD yields more complete structural characterization as it provides improved and more reliable conformer resolution.

Keywords: complementarity; electronic circular dichroism; vibrational circular dichroism.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Circular Dichroism / methods*
Humans
Molecular Structure