Semiexperimental Equilibrium Structure for the C6 Backbone of cis-1,3,5-Hexatriene; Structural Evidence for Greater π-Electron Delocalization with Increasing Chain Length in Polyenes-Reference-Cited by-同舟云学术

Semiexperimental Equilibrium Structure for the C6 Backbone of cis-1,3,5-Hexatriene; Structural Evidence for Greater π-Electron Delocalization with Increasing Chain Length in Polyenes

Published:2009-02-05 Issue:9 Volume:113 Page:1864-1868
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Suenram Richard D.¹,Pate Brooks H.¹,Lesarri Alberto¹,Neill Justin L.¹,Shipman Steven¹,Holmes Robin A.¹,Leyden Matthew C.¹,Craig Norman C.¹

Affiliation:

1. Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904, Departmento de Química Física y Química Inorgánica, Universidad de Valladolid, Valladolid, Spain 47005, and Department of Chemistry and Biochemistry, Oberlin College, Oberlin, Ohio 44074

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp8106777

Reference13 articles.

1. Ab initio anharmonic force field and equilibrium structure of propene

2. Equilibrium Structures for Butadiene and Ethylene: Compelling Evidence for Π-Electron Delocalization in Butadiene

3. Ab Initio Structures for 90°-Twisted s-trans-1,3-Butadiene and Cyclooctatetraene: The Naked sp2−sp2 Bond

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1. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1;Journal of Molecular Spectroscopy;2014-09

2. Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2;Journal of Molecular Spectroscopy;2013-06

3. Microwave Spectra of the Deuterium Isotopologues of cis-Hexatriene and a Semiexperimental Equilibrium Structure;The Journal of Physical Chemistry A;2013-01-15

4. From the Hubbard to the PPP Model;Croatica Chemica Acta;2013

5. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-1,1-d2 and -cis-1-d1;Journal of Molecular Structure;2012-09