The clusters-in-a-liquid approach for solvation: new insights from the conformer specific gas phase spectroscopy and vibrational optical activity spectroscopy

AS Perera, J Thomas, MR Poopari, Y Xu - Frontiers in Chemistry, 2016 - frontiersin.org
Vibrational optical activity spectroscopies, namely vibrational circular dichroism (VCD) and
Raman optical activity (ROA), have been emerged in the past decade as powerful …

[图书][B] Chiroptical spectroscopy: fundamentals and applications

PL Polavarapu - 2016 - taylorfrancis.com
This book details chiroptical spectroscopic methods: electronic circular dichroism (ECD),
optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational …

Structure elucidation of menthol-based deep eutectic solvent using experimental and computational techniques

MA Ali, MS Rahman, R Roy, P Gambill… - The Journal of …, 2021 - ACS Publications
The structural properties and nonbonding interactions of a menthol-based deep eutectic
solvent (DES) were investigated in detail employing experimental and computational …

Solvation of a chiral carboxylic acid: effects of hydrogen bonding on the IR and VCD spectra of α-methoxyphenylacetic acid

K Bünnemann, C Merten - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
Strong hydrogen bonding to solvent molecules can significantly alter the IR and VCD
spectra of a chiral solute. This can be particularly troublesome for the determination of …

7-Azaindole breaks carboxylic acid dimers and simplifies VCD spectra analyses of natural products

C Grassin, E Santoro, C Merten - Chemical Communications, 2022 - pubs.rsc.org
The determination of absolute configurations of carboxylic acids by vibrational circular
dichroism (VCD) spectroscopy is often complicated by self-aggregation and the subsequent …

Chirality transfer in a methyl lactate-ammonia complex observed by matrix-isolation vibrational circular dichroism spectroscopy.

C Merten, Y Xu - Angewandte Chemie, 2013 - search.ebscohost.com
Vibrational circular dichroism (VCD) spectroscopy [1] has become a powerful tool for the
determination of the absolute configurations of natural products,[2] metal complexes,[3] and …

[图书][B] Structure Elucidation in Organic Chemistry: The Search for the Right Tools

MM Cid, J Bravo - 2014 - books.google.com
Intended for advanced readers, this is a review of all relevant techniques for structure
analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic …

How many solvent molecules are required to solvate chiral 1, 2-diols with hydrogen bonding solvents? A VCD spectroscopic study

L Weirich, JM de Oliveira, C Merten - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
Strong solute–solvent interactions have been shown to have a significant influence on the
vibrational circular dichroism (VCD) spectral signatures of chiral solutes. In order to use VCD …

Systematic approach to conformational sampling for assigning absolute configuration using vibrational circular dichroism

EC Sherer, CH Lee, J Shpungin, JF Cuff… - Journal of Medicinal …, 2014 - ACS Publications
Systematic methods that speed-up the assignment of absolute configuration using
vibrational circular dichrosim (VCD) and simplify its usage will advance this technique into a …

On the Complementarity of ECD and VCD Techniques

VP Nicu, A Mándi, T Kurtán, PL Polavarapu - Chirality, 2014 - Wiley Online Library
An unprecedented complementarity of electronic circular dichroism (ECD) and vibrational
circular dichroism (VCD) spectroscopic techniques is demonstrated by showing that each …