Search results for "Solvent polarity"
showing 5 items of 5 documents
Infrared bandshapes of intramolecularly H-bonded systems, 2,4,6-tribromophenol
1983
Abstract A detailed quantitative analysis of the IR bandshape of the ν S (OH) vibration of 2,4,6-tribromophenol in a series of solvents of varying polarity is presented. A distinct dependence of band parameters on solvent polarity has been found. Various contributions to the bandshape are discussed.
Influence of solvents on conformation of dehydropeptides
2013
Abstract Structural investigations of dehydropeptides containing (Z)-dehydrophenylalanine in solvents characterized by different polarity are discussed. The conformational analysis are based on spectroscopic methods (NMR, CD), molecular modeling techniques and in case of the tripeptide, ab initio methods. The results of temperature experiment indicate, that the only conformation of the investigated hexapeptide 3 is stabilized by intramolecular hydrogen bonds. Depending on the length of the peptide chain, the polarity of solvent influences on arrangement of the side chain of the amino acids or of the main chain of the peptide.
Solvent dependence of the νs(OD) bandshape in 2,6-dichlorophenol
1994
Abstract The infrared bandshape of νs(OD) of 2,6-dichlorophenol is measured in a series of solvents of increasing polarity, and is quantitatively analysed. The bandshape is described in terms of band indices, moments, correlation functions and correlation times. A distinct solvent dependence of bandshape and relaxation parameters has been found. The changes of the νs(OD) bandshape with increasing solvent polarity are compared in detail with those obtained earlier for analogous solvents for νs(OH) of 2,6-dichlorophenol. The overall behaviour of the spectral and relaxation parameters is similar, but the changes are less distinct for the weaker OD ⋯ Cl bond.
Vibrational dephasing of νs (OH) in 2,4-dichlorophenol
1990
Abstract A quantitative analysis of the infrared bandshape of ν s (OH) in intramolecularly hydrogen-bonded 2,4-dichlorophenol in a series of solvents is presented. A distinct dependence of bandshape indices and relaxation parameters on the polarity of solvent has been found. The band shifts to lower wavenumbers, broadens and becomes more intense with increasing solvent polarity; correspondingly, the correlation function decays faster and the correlation time diminishes. The results are compared with those for previously studied systems. Factors influencing the bandshape are discussed.
Reaction mechanism of regioisomerization in binuclear (diaminocarbene)PdII complexes
2021
Abstract A series of binuclear PdII carbene complexes were synthesized via the treatment of cis-[PdCl2(CNXyl)2] (1) with benzo-1,3-thiazol-2-amines (2–6) and structurally characterized. In every case the reaction leads to the mixture of two regioisomers, which are able to interconvert. The study of the regioisomerization of the binuclear diaminocarbene species showed that it is a first-order reaction, that is, it occurs intramolecularly, and was analyzed with the Hammett function. Electron-withdrawing substituents in the benzothiazole moiety of the complexes as well as increasing the solvent polarity accelerate the reaction. The solvent donor strength correlates less well with the isomeriza…