Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions

Details Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confemh07g&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Mathematics

Group Theory

Microwave

Scientific paper

The Mulliken convention has become the standard notation for symmetry species (irreducible representations) of point groups for quasi-rigid molecules. No such convention exists for symmetry species of symmetry groups for semi-rigid or non-rigid molecules with large amplitude internal motions (LAMs). As a result, we have a situation where we create notations in a do-it-yourself fashion or adopt them from the literature, sometimes even without proper reference to its derivation or to the character table on which it is based. This may be just a nuisance for those who are comfortable enough with group theory and molecular symmetry groups to figure "it" out, but it represents a real problem for everybody else.
The notation confusion is illustrated with examples from the literature (both old and new) on molecules with two or more LAMs. Most authors use the notation introduced by Myers and Wilson for molecules such as acetone or propane. No universal notation is in use for molecules with two methyl groups but lower overall symmetry. For example, the notation G_1_8 is used for one of these groups. As it turns out, different people use the same notation for different groups. This presentation is an attempt to bring some light into the dark and to combat confusion with a call for an anti-confusion convention.
R. S. Mulliken, Phys. Rev. 43, 279 (1933).
R. J. Myers, E. B. Wilson, J. Chem. Phys. 33, 186 (1960).

Affiliated with

Also associated with

No associations

Rating

Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Notation Confusion of Symmetry Species for Molecules with Several Large-Amplitude Internal Motions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-999748