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Hydroboration of Cyclopropane: A Transition State Study

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1TitleTitle of DocumentHydroboration of Cyclopropane: A Transition State Study
2CreatorAuthor's name, affiliation, country SATYA PRAKASH SINGH and POMPOZHI PROTASIS THANKACHAN
Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee-247667, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Hydroboration, Cyclopropane, Transition state, Propylborane
4DescriptionAbstract The hydroboration of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2013.420
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  2 , Number  (2), (2013)
12LanuguageEnglish=en en
13RelationSupp.files
14Coverage -
15CopyrightCopyright and permissions
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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