Structure and Electronic Transitions of C7H4O2+ and C7H5O2+ Ions: Neon Matrix and Theoretical Studies.
J Phys Chem A
; 120(51): 10134-10140, 2016 Dec 29.
Article
in En
| MEDLINE
| ID: mdl-27976905
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 2Aâ³ to the 1 2Aâ³, 2 2Aâ³, and 3 2Aâ³ 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' â 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 2Aâ³, 3 2Aâ³, 2 2Aâ³, and 1 2Aâ³ â X 2Aâ³ transitions of J with origin bands 291.3, 361.2, 393.8, and 461.2 nm.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Phys Chem A
Journal subject:
QUIMICA
Year:
2016
Document type:
Article
Affiliation country:
Switzerland