Premium
Computing the full nonrigid group of tetra‐tert‐butyltetrahedrane using wreath product
Author(s) -
Darafsheh Mohammad Reza,
Ashrafi Ali Reza,
Darafsheh Arash
Publication year - 2005
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20721
Subject(s) - wreath product , character table , tetra , group (periodic table) , conjugacy class , permutation group , group theory , product (mathematics) , permutation (music) , mathematics , algebraic number , molecule , character (mathematics) , combinatorics , algebra over a field , pure mathematics , chemistry , physics , geometry , quantum mechanics , medicinal chemistry , mathematical analysis , acoustics
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. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005