• image 01
    Volume 1, No.1, 2012
  • image 02
    Volume 1, No.2, 2012
  • image 01
    Volume 1, No.3, 2012
  • image 02
    Volume 2, No.1, 2013
  • image 02
    Volume 2, No.2, 2013
  • image 02
    Volume 2, No.S1, 2013
  • image 02
    Volume 2, No.3, 2013
  • image 02
    Volume 2, No.4, 2013
  • image 02
    Volume 3, No.1, 2014
  • image 02
    Volume 3, No.2, 2014
  • Volume 3, No3
    Volume 3, No.3, 2014
  • Volume 3, No4
    Volume 3, No.4, 2014
  • Volume 4, No1
    Volume 4, No.1, 2015
  • Volume 4, No2
    Volume 4, No.2, 2015
  • Volume 4, No3
    Volume 4, No.3, 2015
  • Volume 4, No4
    Volume 4, No.4, 2015
  • Volume 5, No1
    Volume 5, No.1, 2016
  • image 01
  • image 02
  • Login|Register
  • Chem Sci Trans., 2013, 2(3),  pp 1009-1015  

    DOI:10.7598/cst2013.445

    Research Article

    Hydroalumination of Cyclopropane: A Transition State Study

  • SATYA PRAKASH SINGH* and POMPOZHI PROTASIS THANKACHAN
  • Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee - 247667, India
  • Abstract

    The hydroalumination 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.

    Keywords

    Hydroalumination, Cyclopropane, Transition state, Propylalane

    This article has been viwed 1839 times

      

    Citations for this article 1

      

    Download Citations