Kabisch G,Pollmer K.Hydrogen bonding in methanol-organic solvent and methanol-water mixtures as studied by vco and vOH Raman bands. Journal of Molecular Structure . 1982Hydrogen bonding in methanol-organic solvent and methanol-water mixtures as studied by vco and vOH Raman bands. Kabisch G,...
Zeidler, Hydrogen bonding in liquid methanol at ambient conditions and at high pressure, Mol. Phys. 98 (2000) 125-134.Weitkamp, T.; Neuefeind, J.; Fischer, H. E.; Zeidler, M. D. Hydrogen Bonding in Liquid Methanol at Ambient Conditions and at High Pressure. Mol. Phys. 2000, 98, ...
Infrared v(OH) spectra of binary mixtures of methanol and acetonitrile have been studied over the whole concentration range. It has been shown that the overall band profile is influenced by a diverse range of hydrogen-bonded methanol aggregates (CH3OH)n with n extending to at least 4 along ...
L. Hydrogen bonding definitions and dynamics in liquid water. The Journal of Chemical Physics 126, 204107 (2007). 21. Heyden, M. et al. Dissecting the THz spectrum of liquid water from first principles via correlations in time and space. Proceedings of the National Academy of Sciences 107,...
The hydrogen bonding interaction of formamide–nitrosyl hydride complex has been investigated using density functional theory (DFT) and ab initio method. T... Y Liu,W Liu,H Li,... - 《Journal of Molecular Structure Theochem》 被引量: 69发表: 2006年 The Hydrolysis Mechanism of Formamide Revisi...
organic compounds/ hydrogen bondingintramolecular motionsliquid methanolsupercritical methanolmolecular dynamics simulationsflexible 3-sites modelMolecular dynamics (MD) simulations of liquid and supercritical methanol have been performed using a well known flexible 3-sites model. The analysis of the hydrogen ...
withtheeffectofhydrogenbondingontheOHstretchingfrequencies,norwiththedissociationenergyofthedimersofmethanolandwaterinthevaporHowever,theheatofsublimationofmethanolat0°Kindicatesthatabout85kcalmole−1arerequiredtobreakthehydrogenbonds,comparedwithonly566kcalmole−1inice,whichisconsistentwiththehigherforceconstant...
A major interest of this laboratory has been the study of intramolecular hydrogen (H) bonding in isolated molecules.l 2-Bicyclopropylidenylmethanol (BIe) has been chosen for study this time. l'I,ineallstaggered forms are possible for this compound as a result of rotation around the C5-C7 ...
ChemInform Abstract: A Quantitative Raman Spectroscopic Study of Hydrogen-Bonding in Methanol and Methanol-d1IR and Raman spectra (organic substances)doi:10.1002/chin.199027048H. G. M. EDWARDSD. W. FARWELLChemInform
The excited state hydrogen bonding dynamics of BBVN in hydrogen donating methanol solvent was explored at the TD-BMK/cc-pVDZ level of theory with accounting for the bulk environment effects at the polarizable continuum model (PCM). The heteroatoms of the BBVN laser dye form hydrogen bonds with ...