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PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5563
pubmed:dateCreated
2002-3-22
pubmed:abstractText
Rates of SN2 reactions of chloride ion with methyl- and tert-butyl-substituted chloroacetonitrile were measured by using Fourier transform-ion cyclotron resonance spectrometry to follow the isotopic exchange reaction. Barrier heights for these reactions indicate that steric effects in the gas phase are diminished relative to apparent steric effects in solution. We attribute the increased barrier in solution to a solvation effect. Monte Carlo simulations done using statistical perturbation theory confirm that steric hindrance to solvation contributes to SN2 barriers in solution.
pubmed:commentsCorrections
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Mar
pubmed:issn
1095-9203
pubmed:author
pubmed:issnType
Electronic
pubmed:day
22
pubmed:volume
295
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2245-7
pubmed:dateRevised
2007-3-19
pubmed:year
2002
pubmed:articleTitle
Steric effects and solvent effects in ionic reactions.
pubmed:affiliation
Department of Chemistry, Bryn Mawr College, Bryn Mawr, PA 19010, USA.
pubmed:publicationType
Journal Article