Electron Delocalization in Polyenes: A Semiexperimental Equilibrium Structure for (3E)-1,3,5-Hexatriene and Theoretical Structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-Octatetraene-Reference-Cited by-同舟云学术

Electron Delocalization in Polyenes: A Semiexperimental Equilibrium Structure for (3E)-1,3,5-Hexatriene and Theoretical Structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-Octatetraene

Published:2014-12-16 Issue:1 Volume:119 Page:195-204
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Craig Norman C.¹,Demaison Jean²,Groner Peter³,Rudolph Heinz Dieter⁴,Vogt Natalja⁴

Affiliation:

1. Department of Chemistry and Biochemistry, Oberlin College, Oberlin, Ohio 44074, United States

2. Laboratoire de Physique des Lasers, Atomes et Molécules, Université de Lille 1, 59655 Villeneuve d’Ascq Cedex, France

3. Department of Chemistry, University of Missouri−Kansas City, Kansas City, Kansas 64110-2499, United States

4. Chemical Information Systems, Universität Ulm, D-89069, Ulm, Germany

Funder

Camille and Henry Dreyfus Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp510237h

Reference54 articles.

1. Optical Spectroscopy of Long Polyenes

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

3. High Level ab Initio Energies and Structures for the Rotamers of 1,3-Butadiene

4. Microwave Spectra of the Deuterium Isotopologues of cis-Hexatriene and a Semiexperimental Equilibrium Structure

5. Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes

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