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Mostrando ítems 71-80 de 2031
Role of the medium on the C343 inter/intramolecular hydrogen bond interactions. An absorption, emission, and 1HNMR investigation of C343 in benzene/n-heptane mixtures
(American Chemical Society, 2010-07-21)
C343, a common molecular probe utilized in solvation dynamics experiments, was studied in homogeneous media. Absorption, emission, and 1HNMR spectroscopies were used to investigate the behavior of C343 in benzene and in ...
Influence of β-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as Well as Host Dimer Formation
(2023)
Understanding the non-covalent interactions in host-guest complexes is crucial to their stability, design and applications. Here, we use density functional theory to compare the ability of β-cyclodextrin (β-CD) and ...
Competing intramolecular N–H...O=C hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4- oxopentan-2-yl) thiourea analyzed by experimental and theoretical methods
(Elsevier, 2014-01)
The synthesis of a novel 1-acyl-thiourea species (C14H17N2O2SCl), has been tailored in such a way that two distinct N–H...O=C intramolecular competing hydrogen bonds are feasible. The X-ray structure analysis as well as ...
Theoretical study of chloride complexes with hybrid macrocycles
(Royal Society of Chemistry, 2021-01-07)
Anions show relevant roles in biological routes. The supramolecular chemistry investigates the chemical bonding between two or more molecules and/or ions. Herein, the nature of the bond between chloride anions and macrocycle ...