Hydroboration of Substituted Cyclopropane : A Density Functional Theory Study
Joint Authors
Thankachan, Pompozhi Protasis
Singh, Satya Prakash
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-08-17
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
The hydroboration of substituted cyclopropanes has been investigated using the B3LYP density functional method employing 6-31G** basis set.
Borane moiety approaching the cyclopropane ring has been reported.
It is shown that the reaction proceeds via a three-centered, “loose” and “tight,” transition states when boron added to the cyclopropane across a bond to a substituents.
Single point 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.
American Psychological Association (APA)
Singh, Satya Prakash& Thankachan, Pompozhi Protasis. 2014. Hydroboration of Substituted Cyclopropane : A Density Functional Theory Study. Advances in Chemistry،Vol. 2014, no. 2014, pp.1-7.
https://search.emarefa.net/detail/BIM-471374
Modern Language Association (MLA)
Singh, Satya Prakash& Thankachan, Pompozhi Protasis. Hydroboration of Substituted Cyclopropane : A Density Functional Theory Study. Advances in Chemistry No. 2014 (2014), pp.1-7.
https://search.emarefa.net/detail/BIM-471374
American Medical Association (AMA)
Singh, Satya Prakash& Thankachan, Pompozhi Protasis. Hydroboration of Substituted Cyclopropane : A Density Functional Theory Study. Advances in Chemistry. 2014. Vol. 2014, no. 2014, pp.1-7.
https://search.emarefa.net/detail/BIM-471374
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-471374