Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Spectrochimica Acta ...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Spectrochimica Acta Part A Molecular Spectroscopy
Article . 1973 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
versions View all 1 versions
addClaim

This Research product is the result of merged Research products in OpenAIRE.

You have already added 0 works in your ORCID record related to the merged Research product.

A vibrational study of cyclohexane and some of its isotopic derivatives-III. A vibrational analysis of cyclohexane, cyclohexane-d12, cyclohexane-1,1,4,4-d4 and cyclohexane-1,1,2,2,4,4,5,5-d8

Authors: Kenneth B. Wiberg; Andrew Shrake;

A vibrational study of cyclohexane and some of its isotopic derivatives-III. A vibrational analysis of cyclohexane, cyclohexane-d12, cyclohexane-1,1,4,4-d4 and cyclohexane-1,1,2,2,4,4,5,5-d8

Abstract

Abstract A vibrational analysis has been carried out on cyclohexane, cyclohexane-d12, cyclohexane-1, 1,4,4-d4 and cyclohexane-1,1,2,2,4,4,5,6-d8 utilizing the set of 60 internal coordinates (all 18 bond stretches, all 36 valence angle bends and six CCCC torsional bends) that is compatible with the Snyder and Schachtschneider transferable valence force field for saturated hydrocarbons. Twenty-three of these valence force constants can be defined in the cyclohexane system; all 23 parameters were varied independently to fit 133 assigned fundamental frequencies using the method of least squares and giving a final RMS deviation of 14.68 cm−1. The resulting data are compared with those determined from the original Snyder and Schachtschneider values of the 23 force constants. A numerical method has been devised for determining independent linear combinations of valence force constants in each symmetry block; this permits the selection of an independent subset of valence force constants from a dependent or redundant set when redundant internal coordinates are included.

Related Organizations
  • BIP!
    Impact byBIP!
    citations
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    109
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
109
Top 10%
Top 10%
Top 10%
Upload OA version
Are you the author? Do you have the OA version of this publication?