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Structure and electronic transitions of C7H4O2+ and C7H5O2+ ions: neon matrix and theoretical studies

Fulara, Jan and Erattupuzha, Sonia and Garkusha , Iryna and Maier, John P.. (2016) Structure and electronic transitions of C7H4O2+ and C7H5O2+ ions: neon matrix and theoretical studies. Journal of Physical Chemistry A, 120. pp. 10134-10140.

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Abstract

C7H4O2+ and C7H5O2+ ions and the respective neutrals have been investigated by absorption spectroscopy in neon matrixes following mass selection of ions produced from salicylic acid. Three electronic transitions starting at 649.6, 431.0, and 372.0 nm are detected for C7H4O2+ and assigned on the basis of CASPT2 energies and Franck–Condon simulations as the excitations from the X 2A″ to the 1 2A″, 2 2A″, and 3 2A″ electronic states of 6-(oxomethylene)-2,4-cyclohexadien-1-one ion (A+). Absorptions commencing at 366.4 nm are observed for C7H5O2+ and assigned to the 1 2A′ ← X 2A′ electronic transition of (2-hydroxyphenyl)methanone ion (J+). Neutralization of J+ leads to the appearance of four absorption systems attributed to the 4 2A″, 3 2A″, 2 2A″, and 1 2A″ ← X 2A″ transitions of J with origin bands 291.3, 361.2, 393.8, and 461.2 nm.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Physikalische Chemie (Maier)
UniBasel Contributors:Maier, John Paul and Fulara, Jan and Erattupuzha Joseph, Sonia Mary
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
ISSN:1089-5639
e-ISSN:1520-5215
Note:Publication type according to Uni Basel Research Database: Journal article
Language:English
Identification Number:
Last Modified:19 Jan 2018 14:31
Deposited On:05 Jan 2018 12:50

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