Results 161 to 170 of about 96,443 (174)

Hydrogen bonding in complexes of carboxylic acids with 1-alkylimidazoles: steric and isotopic effects on low barrier hydrogen bonding

Journal of the Chemical Society, Perkin Transactions 2, 1999
The nature of hydrogen bonding within intermolecular complexes of carboxylic acids and 1-methylimidazole (1-MeIm), 1-n-butylimidazole (1-BuIm), and 1-tert-butylimidazole (1-t-BuIm) in chloroform was characterized by Fourier transform infrared spectroscopy. Earlier spectroscopic studies indicated that carboxylic acid–1-MeIm complexes are of three types:
Constance S. Cassidy, Perry A. Frey, W. Wallace Cleland, Laurie A. Reinhardt   +3 more
openaire   +2 more sources

Characterization of the Short Strong Hydrogen Bond in Benzoylacetone by ab Initio Calculations and Accurate Diffraction Experiments. Implications for the Electronic Nature of Low-Barrier Hydrogen Bonds in Enzymatic Reactions

, 1998
The intramolecular hydrogen bond in benzoylacetone has been studied with high-level ab initio Hartree−Fock and density functional theory methods. The results are compared to the experimental structure as obtained from low-temperature neutron and X-ray ...
B. Schiøtt, B. Iversen, G. Madsen, T. C. Bruice   +3 more
semanticscholar   +1 more source

Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis

, 2012
The complexes (1–3) of an amidothiourea receptor L with three different types of organic bases have been synthesized, and their crystal structures were solved using single crystal X-ray diffraction data.
A. Basu, G. Das
semanticscholar   +1 more source

Low barrier hydrogen bond in protonated proton sponge. X-ray diffraction, infrared, and theoretical ab initio and density functional theory studies

, 2003
A new proton sponge, 2,7-dibromo-1,8-bis(dimethylamino)naphthalene (Br2DMAN), and its protonated (HBr) or deuterated (DBr) forms were studied by using x-ray diffraction and infrared spectroscopy, as well as ab initio and density functional theory ...
A. Bieńko, Z. Latajka, W. Sawka-Dobrowolska, L. Sobczyk, V. Ozeryanskii, A. Pozharskii, E. Grech, J. Nowicka-Scheibe   +7 more
semanticscholar   +1 more source

low‐barrier hydrogen bond

Catalysis from A to Z, 2020

semanticscholar   +1 more source

Can low-barrier hydrogen bond exist in systems with second row elements? An ab initio path integral molecular dynamics study for deprotonated hydrogen sulfide dimer

Theoretical Chemistry accounts, 2016
Yudai Ogata, T. Kawatsu, M. Tachikawa
semanticscholar   +1 more source

Dimerization and solvent‐assisted proton dislocation in the low‐barrier hydrogen bond of a Mannich base: a low‐temperature NMR study

, 2001
M. Rospenk, L. Sobczyk, Parwin Schah-Mohammedi, H. Limbach, N. Golubev, S. Melikova   +5 more
semanticscholar   +1 more source

Low-barrier hydrogen bond plays key role in active photosystem II — A new model for photosynthetic water oxidation

, 2006
Chunxi Zhang
openalex   +1 more source

A Low-Barrier Hydrogen Bond Playing an Important Role in the Enzyme Mechanism of delta-5-3-Ketosteroid Isomerase

, 1997
오병하
openalex   +1 more source

Low-barrier hydrogen bonds and low fractionation factor bases in enzymic reactions

Biochemistry, 1992
openaire   +3 more sources