The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods-Reference-Cited by-同舟云学术

The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods

Published:2020-04-14 Issue:14 Volume:152 Page:144301
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Palmer Michael H.¹^ORCID,Aitken R. Alan²^ORCID,Coreno Marcello³^ORCID,de Simone Monica⁴^ORCID,Grazioli Cesare⁴^ORCID,Hoffmann Søren Vrønning⁵^ORCID,Jones Nykola C.⁵^ORCID

Affiliation:

1. School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland, United Kingdom

2. School of Chemistry, University of St Andrews, North Haugh, St Andrews Fife, St Andrews KY16 9ST, Scotland, United Kingdom

3. ISM-CNR, Istituto di Struttura della Materia, LD2 Unit, 34149 Trieste, Italy

4. IOM-CNR Laboratorio TASC, Trieste, Italy

5. ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C, Denmark

Funder

Instituto Nazionale di Fisica Nucleare

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5142268

Reference66 articles.

1. The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods

2. The electronically excited states of cyclooctatetraene—An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods

3. Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO[minimum neglect of differential overlap]SCF MO method

4. A photoionization study of the energetics of the C7H7+ ion formed from C7H8 precursors

5. UV photoelectron spectroscopic and computational study of 7-substituted cycloheptatrienes

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