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.
Clemens Müller and Christian Merten
Phys. Chem. Chem. Phys., 2023,25, 19462-19469
From themed collection:
2023 PCCP HOT Articles
Abstract
Solute–solvent interactions influence IR and VCD spectra of the two model peptides in DMSO-d6. Spectra simulations need to take different solvation states for different conformer families into account.
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.
Nora M. Kreienborg, Qin Yang, Corina H. Pollok, Julien Bloino and Christian Merten
Phys. Chem. Chem. Phys., 2023,25, 3343-3353
Abstract
Experimental VCD spectroscopy helps benchmarking computational approaches to identify resonances in anharmonic VPT2 spectra calculations.
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Y, and X![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
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