Photophysics and photochemistry of cis- and trans-hydroquinone, catechol and their ammonia clusters: a theoretical study

Author:

Ataelahi Mitra1234,Omidyan Reza1234ORCID,Azimi Gholamhassan1234

Affiliation:

1. Department of Chemistry

2. University of Isfahan

3. 81746-73441 Isfahan

4. Iran

Abstract

CC2 PE profiles of the bare and ammoniated hydroquinone (HQ–An, n = 0–4) at the electronic ground (S0) and S1 (1ππ*) excited states along with the O–H reaction coordinate.

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

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