Hydrogen bonds between first-row hydrides and acetylene
- 15 March 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (6) , 4063-4065
- https://doi.org/10.1063/1.445133
Abstract
The structures and association energies of the complexes of NH3, H2O, and HF with acetylene have been determined using Hartree–Fock and Mo/ller–Plesset theories. HF is found to act as a proton donor to acetylene, while H2O and NH3 act as proton acceptors.Keywords
This publication has 8 references indexed in Scilit:
- Hydrogen bonds between hydrogen halides and unsaturated hydrocarbonsChemical Physics Letters, 1982
- The rotational spectrum and molecular structure of the acetylene–HCl dimerThe Journal of Chemical Physics, 1981
- Infrared spectra of hydrogen-bonded .pi. complexes between hydrogen halides and acetyleneJournal of the American Chemical Society, 1980
- Self-consistent molecular orbital methods. XX. A basis set for correlated wave functionsThe Journal of Chemical Physics, 1980
- Electron correlation theories and their application to the study of simple reaction potential surfacesInternational Journal of Quantum Chemistry, 1978
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Infra-red cryogenic studies. Part 11.—Hydrogen iodide and HI complexesJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1973
- Infra-red cryogenic studies. Part 3.—Hydrogen halides in doped argon matricesTransactions of the Faraday Society, 1969