Journal article

Electronic Spectrum and Photodissociation Chemistry of the 1-Butyn-3-y1 Cation, H3CCHCCFI

Giel Muller, Ugo Jacovella, Katherine J Catani, Gabriel da Silva, Evan J Bieske

JOURNAL OF PHYSICAL CHEMISTRY A | AMER CHEMICAL SOC | Published : 2020

Abstract

The B̃1A' ← X̃1A' electronic spectra of the 1-butyn-3-yl cation (H3CCHCCH+) and the H3CCHCCH+-Ne and H3CCHCCH+-Ar complexes are measured using resonance enhanced photodissociation over the 245-285 nm range, with origin transitions occurring at 35936, 35930, and 35928 cm-1, respectively. Vibronic bands are assigned based on quantum chemical calculations and comparison of the spectra with those of the related linear methyl propargyl (H3C4H2+) and propargyl (H2C3H+) cations. The photofragment ions are C2H3+ (major) and C4H3+ (minor), with the preference for C2H3+ consistent with master equation simulations for a mechanism that involves rapid electronic deactivation and dissociation on the groun..

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Grants

Awarded by Australian Research Council


Awarded by Swiss National Science Foundation


Funding Acknowledgements

This research was supported under the Australian Research Council's Discovery Project funding scheme (Project Numbers DP15010142 and DP160100474) as well as by Australian Government Research Training Program Scholarships. U. Jacovella acknowledges support from the Swiss National Science Foundation (P2EZP2_178429).