Topic
Conformational isomerism
About: Conformational isomerism is a research topic. Over the lifetime, 11563 publications have been published within this topic receiving 199312 citations.
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TL;DR: In this article, the role played by the side groups on the conformational flexibility of the galactomannan chain backbone has been investigated, showing that the position of the lowest energy minimum conformer and the lower energy region change significantly if one or both mannosyl residues are substituted by a galactosyl side group.
76 citations
TL;DR: In this paper, the authors analyzed the conformational landscape of the bis(fluorosulfonyl)amide, [FSI]−, anion using data obtained from Raman spectroscopy, molecular dynamics (MD), and ab initio studies.
Abstract: The conformational landscape of the bis(fluorosulfonyl)amide, [FSI]−, anion was analyzed using data obtained from Raman spectroscopy, molecular dynamics (MD), and ab initio studies. The plotting of three-dimensional potential energy surfaces and the corresponding MD simulation conformer-population histograms show the existence of two stable isomers, C2 (trans) and C1 (cis) conformers, and confirm the nature of the anion as a flexible molecule capable of interconversion between conformers in the liquid state. In ionic liquids, the two [FSI]− conformers coexist in equilibrium, a result confirmed by the Raman data. The implications of the conformational behavior of the ion [FSI]− are discussed in terms of the solvation properties of the corresponding ionic liquids.
76 citations
TL;DR: A conformational study of ketoprofen was carried out by both density functional theory (DFT) calculations and Raman spectroscopy, finding nine different geometries found to correspond to energy minimum conformations but only one of them was experimentally detected in the condensed phase spectra.
76 citations
TL;DR: In this article, the structure of hexadentate edta-type ligands with Co(III, Cr(III), and Rh(III) was determined by X-ray crystallography for representative complexes, substantiating assignments based on circular dichroism spectra.
76 citations
TL;DR: In this paper, a new cytotoxic epipolysulfanyldioxopiperazine dimers, leptosins K (4), K1 (5) and K2 (6), have been isolated from a strain of Leptosphaeria sp. originally isolated from the marine alga Sargassum tortile.
76 citations