Notations and conventions in molecular spectroscopy: part 2. Symmetry notation
Schutte, C. J. H., Bertie, J. E., Bunker, P. R., Hougen , J. T., Mills, I., Watson, J. K. G. and Winnewisser, B. P. (1997) Notations and conventions in molecular spectroscopy: part 2. Symmetry notation. Pure and Applied Chemistry, 69 (8). pp. 1641-1649. ISSN 0033-4545
Official URL: http://old.iupac.org/publications/pac/1997/
The field of Molecular Spectroscopy was surveyed in order to determine a set of conventions and symbols which are in common use in the spectroscopic literature. This document, which is Part 2 in a series, establishes the notations and conventions used for the description of symmetry in rigid molecules, using the Schoenflies notation. It deals firstly with the symmetry operators of the molecular point groups (also drawing attention to the difference between symmetry operators and elements). The conventions and notations of the molecular point groups are then established, followed by those of the representations of these groups as used in molecular spectroscopy. Further parts will follow, dealing inter alia with permutation and permutation-inversion symmetry notation, vibration-rotation spectroscopy and electronic spectroscopy.
1 C. J. H. Schutte, J. E. Bertie, P. R. Bunker, J. T. Hougen, I. M. Mills, J. K. G. Watsonand B. P. Winnewisser,(Part l), Pure Appl. Chem.,this issue (1997). 2 F. A. Jenkins, Phys. Rev. 43, (1953) 425. 3 Report on Notation for the Spectra of Polyatomic Molecules, prepared for the Joint Commission for Spectroscopy by R. S. Mulliken, J. Chem. Phys., 23, (1955) 1997. 4 IUPAP, Symbols, Units, Nomenclature and Fundamental Constants in Physics, 1987 Revision, E. R. Cohen and P. Giacomo, Document IUPAP-25 (SUNAMCO 87-l), Physica, 146A (1987) 1. 5 I. Mills, T. Cvitas, K. Homann, N. Kallay and K. Kuchitsu, Quantities, Units and Symbols in Physical Chemistry, International Union of Pure and Applied Chemistry (Blackwell Scientific Publications, Oxford, 1993) Second Edition. 6 G. Herzberg, Molecular Spectra and Molecular Structure: 11 Infared and Raman Spectra of Polyatomic Molecules, D. Van Nostrand Company, Inc., Princeton 1945; 111 Electronic Spectra and Electronic Structure of Polyatomic Molecules, D. Van Nostrand Company, Inc., Princeton 1966. Reprinted by Krieger Publishing Co., Malabar, F1. (1 99 1). 7 E. B. Wilson, Jr., J. C. Decius and P. C. Cross, Molecular Vibrations, McGraw-Hill Publishing Co., New York, 1955. 8 T. Hahn, International Tables for Crystallography, Volume A, Fourth Revised Edition, Kluwer Academic Publishers, Dordrecht, 1995. 9 C. J. H. Schutte, The Theory of Molecular Spectroscopy, Volume 1. The Quantum Mechanics and Group Theory of Vibrating and Rotating Molecules. North Holland, AmsterdadAmerican Elsevier, New York, 1976.
Centaur Editors: Update this record