Christian Merten
Phys. Chem. Chem. Phys., 2023,25, 29404-29414
From themed collection:
2023 PCCP Reviews
Abstract
Strong solute–solvent interactions can affect VCD spectral signatures in various ways. In this perspective, we discuss the micro-solvation approach to simulate the solvent effects.
Tohru Taniguchi and Davidson Obinna Agbo
Phys. Chem. Chem. Phys., 2023,25, 28567-28575
From themed collection:
2023 PCCP Reviews
Abstract
VCD spectroscopy in the 1900–2400 cm−1 region has less often been studied. This article briefly summarises VCD studies in this spectral region and discusses the properties of 1900–2400 cm−1 chromophores.
Andrea N. L. Batista, Alessandra L. Valverde, Laurence A. Nafie and João M. Batista Jr
Chem. Commun., 2024,60, 10439-10450
From themed collection:
ChemComm 60th Anniversary Collection
Abstract
VCD spectroscopy associated with DFT calculations is a powerful tool to unambiguously assign both the absolute configurations and conformations of chiral secondary metabolites directly in solution.
Karolina Di Remigio Eikås, Monika Krupová, Tone Kristoffersen, Maarten T. P. Beerepoot and Kenneth Ruud
Phys. Chem. Chem. Phys., 2023,25, 14520-14529
Abstract
The absolute configuration of cyclic peptides with two chiral centers can be unambiguously assigned with VCD. This is however not possible with three or four chiral centers. Hence, other techniques are needed to supplement VCD.
Eric Y. Lee, Victor M. S. Sousa, Eloá R. Mestriner, Kalil Bernardino, Isabele R. Nascimento and João M. Batista
Phys. Chem. Chem. Phys., 2025,27, 3908-3915
Abstract
Inclusion of acetonitrile explicit solvation is required for the correct reproduction of VCD features of furofuran lignans, even for molecules devoid of H-bond donor groups.
![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/char_e002.gif)
Y, and X![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
Y