title: On the complementarity of ECD and VCD techniques.
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.
authors.affiliation: Theoretical Chemistry, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.
authors.forename: Valentin Paul
authors.initials: VP
authors.lastname: Nicu
authors.forename: Attila
authors.initials: A
authors.lastname: Mándi
authors.forename: Tibor
authors.initials: T
authors.lastname: Kurtán
authors.forename: Prasad L
authors.initials: PL
authors.lastname: Polavarapu
mesh_terms: D002942:Circular Dichroism / Q000379:methods*; D006801:Humans; D015394:Molecular Structure
keywords: complementarity; electronic circular dichroism; vibrational circular dichroism