Evidence for a single minimum potential for hydrogen bonds of pyridine N-oxide complexes with dichloroacetic acid in dichloromethane

Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system

“…1a). 20 In some other cases the distribution would contain two clearly distinct groups of structures, referred to as proton tautomers, A-HÁ Á ÁB " AÁ Á ÁH-B (Fig. 1b).…”

“…10,11 The lifetime of a solvatomer is limited by the rotational diffusion time and usually does not exceed 10 À9 s (often it lies in the picosecond time scale). 20 In some other cases the distribution would contain two clearly distinct groups of structures, referred to as proton tautomers, A-HÁ Á ÁB " AÁ Á ÁH-B (Fig. In some cases the distribution of the geometries in an AHB complex would be sufficiently narrow and well represented by a single structure (Fig.…”

17O NMR and DFT study of hydrogen bonding: Proton sharing and incipient transfer

“…Moreover, compounds with corresponding intramolecular H-bonds lend themselves to comparative investigations of this type of bonding with the intermolecular ones that are in the same range of O…O distances. Azine N-oxide complexes with carboxylic acids have been fairly extensively investigated in the past [18][19][20]. These works were aimed mostly at demonstrating the relationships between the differences of pK's of the components and the spectroscopic evidence of the strength of the resulting H-bonds, such as the centre of gravity of the broad OH absorption in the FTIR spectra as well as 1 H and 13 C chemical shifts.…”