Computing the full nonrigid group of tetra-tert-butyltetrahedrane using wreath product

Mohammad Reza Darafsheh, Ali Reza Ashrafi, Arash Darafsheh

Research output: Contribution to journalArticle

17 Scopus citations

Abstract

The concept of symmetry group of nonrigid molecules as a permutation-inversion group was formulated first by Longuet-Higgins, although earlier works suggested the need for such a framework. Then Balasubramanian showed that these groups could be cast into elegant algebraic structures known as the wreath product of groups. In this study, we apply a similar method to that used by Balasubramanian to find the nonrigid group (NRG) of tetra-tert-butyltetrahedrane. Using the group theory package GAP, we calculate the conjugacy classes and character table of this molecule.

Original languageEnglish
Pages (from-to)485-492
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume105
Issue number5
DOIs
StatePublished - Dec 5 2005
Externally publishedYes

Keywords

  • Character table
  • Nonrigid group
  • Tetra-tert-butyltetrahedrane
  • Wreath product

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