Spectroscopic and computational studies on the rearrangement of ionized [1.1.1]propellane and some of its valence isomers: The key role of vibronic coupling

Journal of the American Chemical Society

Volumn 132, Issue 41, 2010, Pages 14649-14660

  Müller, Beat ^a   Bally, Thomas ^a   Pappas, Robert ^b   Williams, Ffrancon ^b  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALLYL RADICALS; C-C BONDS; CHEMICAL EVIDENCES; COMPUTATIONAL STUDIES; FIRST EXCITED STATE; LOW ENERGIES; LOW TEMPERATURES; MATRIX; PARENT COMPOUNDS; PHOTOELECTRON SPECTRUM; PHOTOINDUCED REACTION; PROPELLANES; RADICAL CATIONS; RADIOLYTIC OXIDATION; REACTION PATHWAYS; RING OPENING; RING OPENING REACTION; SINGLE ELECTRON TRANSFER; SPECTROSCOPIC MEASUREMENTS; THEORETICAL CALCULATIONS; TRANSITION STATE; VALENCE ISOMER; VIBRATIONAL STRUCTURES; VIBRONIC COUPLING; VIBRONIC INTERACTIONS; VINYL CATIONS; VINYLIDENECYCLOPROPANE;

ARGON; BOND LENGTH; ELECTRONIC STRUCTURE; EXCITED STATES; ISOMERS; PHOTOCHEMICAL REACTIONS; PHOTOELECTRON SPECTROSCOPY; POSITIVE IONS; QUANTUM CHEMISTRY; REACTION INTERMEDIATES; REACTION KINETICS;

FREE RADICAL REACTIONS;

[1.1.1]PROPELLANE; ARGON; CATION; FREON; PENTANE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CYCLIZATION; ELECTRON TRANSPORT; IONIZATION; ISOMER; LOW TEMPERATURE; OXIDATION; PHOTOCHEMISTRY; SPECTROSCOPY; SYNTHESIS;

EID: 77958074861     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja106024y     Document Type: Article

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