Electronic absorptions of the benzylium cation
Viktoras Dryza, Nahid Chalyavi, Julian A Sanelli, Evan J Bieske
JOURNAL OF CHEMICAL PHYSICS | AMER INST PHYSICS | Published : 2012
The electronic transitions of the benzylium cation (Bz(+)) are investigated over the 250-550 nm range by monitoring the photodissociation of mass-selected C(7)H(7)(+)-Ar(n) (n = 1, 2) complexes in a tandem mass spectrometer. The Bz(+)-Ar spectrum displays two distinct band systems, the S(1)←S(0) band system extending from 370 to 530 nm with an origin at 19,067 ± 15 cm(-1), and a much stronger S(3)←S(0) band system extending from 270 to 320 nm with an origin at 32,035 ± 15 cm(-1). Whereas the S(1)←S(0) absorption exhibits well resolved vibrational progressions, the S(3)←S(0) absorption is broad and relatively structureless. Vibronic structure of the S(1)←S(0) system, which is interpreted with..View full abstract
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Awarded by Australian Research Council
This research was supported under the Australian Research Council's Discovery Project funding scheme (Project Nos. DP0986980, DP110100312, and DP120100100). V.D. acknowledges support from the University of Melbourne's Early Career Researcher Grant Scheme. The computational portion of this research was undertaken with the assistance of resources provided at the NCI National Facility through the National Computational Merit Allocation Scheme supported by the Australian Government.