Assessing the performance of rotational spectroscopy in chiral analysis

SR Domingos, C Pérez, MD Marshall, HO Leung… - Chemical …, 2020 - pubs.rsc.org
The capabilities of rotational spectroscopy-based methods as tools to deliver accurate and
precise chirality-sensitive information are still breaking ground, but their applicability in the …

Evolution of Solute–Water Interactions in the Benzaldehyde-(H2O)1–6 Clusters by Rotational Spectroscopy

W Li, C Pérez, AL Steber, M Schnell, D Lv… - Journal of the …, 2023 - ACS Publications
The investigation on the preferred arrangement and intermolecular interactions of gas phase
solute–water clusters gives insights into the intermolecular potentials that govern the …

Analysis of isomeric mixtures by molecular rotational resonance spectroscopy

JL Neill, L Evangelisti, BH Pate - Analytical Science Advances, 2023 - Wiley Online Library
Recent developments in molecular rotational resonance (MRR) spectroscopy that have
enabled its use as an analytical technique for the precise determination of molecular …

Discovering the elusive global minimum in a ternary chiral cluster: Rotational spectra of propylene oxide trimer

F Xie, M Fusè, AS Hazrah, W Jäger… - Angewandte …, 2020 - Wiley Online Library
The chirality controlled conformational landscape of the trimer of propylene oxide (PO), a
prototypical chiral molecule, was investigated using rotational spectroscopy and a range of …

Extending the applicability of the semi-experimental approach by means of “template molecule” and “linear regression” models on top of DFT computations

A Melli, F Tonolo, V Barone… - The Journal of Physical …, 2021 - ACS Publications
The accurate determination of equilibrium structures for isolated molecules plays a central
role in the evaluation and interpretation of stereoelectronic, thermodynamic, and …

Enantioselective synthesis of enantioisotopomers with quantitative chiral analysis by chiral tag rotational spectroscopy

MD Mills, RE Sonstrom, ZP Vang… - Angewandte Chemie …, 2022 - Wiley Online Library
Fundamental to the synthesis of enantioenriched chiral molecules is the ability to assign
absolute configuration at each stereogenic center, and to determine the enantiomeric …

Microwave Three-Wave Mixing Spectroscopy of Chiral Molecules in Weakly Bound Complexes

W Sun, M Schnell - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
Since the first experimental implementation in 2013, microwave three-wave mixing has
emerged as a robust spectroscopic approach for analyzing and controlling chiral molecules …

Conformations of steroid hormones: Infrared and vibrational circular dichroism spectroscopy

Y Yang, A Krin, X Cai, MR Poopari, Y Zhang… - Molecules, 2023 - mdpi.com
Steroid hormone molecules may exhibit very different functionalities based on the
associated functional groups and their 3D arrangements in space, ie, absolute …

Chiral analysis of pantolactone with molecular rotational resonance spectroscopy

RE Sonstrom, JL Neill, AV Mikhonin, R Doetzer… - Chirality, 2022 - Wiley Online Library
A molecular rotational resonance spectroscopy method for measuring the enantiomeric
excess of pantolactone, an intermediate in the synthesis of panthenol and pantothenic acid …

Vibrational spectroscopy of homo-and heterochiral amino acid dimers: Conformational landscapes

H Wang, M Heger, MH Al-Jabiri, Y Xu - Molecules, 2021 - mdpi.com
The homo-and heterochiral protonated dimers of asparagine with serine and with valine
were investigated using infrared multiple-photon dissociation (IRMPD) spectroscopy …