Proton Affinity of Dimethyl Sulfoxide and Relative Stabilities of C2H6OS Molecules and C2H7OS+ Ions. A Comparative G2(MP2) ab Initio and Density Functional Theory Study
- 22 May 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 102 (24) , 4703-4713
- https://doi.org/10.1021/jp980940u
Abstract
No abstract availableThis publication has 56 references indexed in Scilit:
- Heats of formation of gas-phase ions calculated by composite ab initio proceduresInternational Journal of Mass Spectrometry and Ion Processes, 1997
- Photoionization spectra and ionization thresholds of CH3SO, CH3SOH, and CH3SS(O)CH3The Journal of Chemical Physics, 1996
- A relationship between the kinetics and thermochemistry of proton transfer reactions in the gas phaseInternational Journal of Mass Spectrometry and Ion Processes, 1996
- Calculation of Proton Affinities Using Density Functional Procedures: A Critical StudyThe Journal of Physical Chemistry, 1996
- On the existence of SH3, SeH3, and TeH3: Discrepancies between all‐electron and pseudopotential calculationsJournal of Computational Chemistry, 1995
- Proton affinities of molecules containing nitrogen and oxygen: Comparing density functional results to experimentTheoretical Chemistry Accounts, 1995
- New Theoretical and Experimental Proton Affinities for Methyl Halides and Diazomethane: A Revision of the Methyl Cation Affinity ScaleThe Journal of Physical Chemistry, 1994
- The Dimethylsulfide-Hydroxyl Radical Reaction. An ab Initio StudyThe Journal of Physical Chemistry, 1994
- Theoretical studies of sulfurous species of importance in atmospheric chemistry. 1. Characterization of the mercaptooxy (HSO) and hydroxythio (SOH) isomersThe Journal of Physical Chemistry, 1993
- The elusive dimethylhydroxysulfuranyl radical. An intermediate or a transition state?Journal of the American Chemical Society, 1992