Renner-Teller and pseudo-Renner-Teller interactions in the electronic ground and excited states of the dicyanoacetylene radical cation: Assignment of vibronic spectrum and elucidation of nonradiative and radiative decay mechanisms

• Published in: Computational and theoretical chemistry Vol. 1155; pp. 109 - 124
• Main Authors: Ghosh, Arpita, Rajak, Karunamoy, Kanakati, Arun Kumar, Mahapatra, S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.05.2019
• Subjects: dicyanoacetylene radical cation; Nonadiabatic quantum dynamics; Pseudo-Renner-Teller effect; Renner-Teller effect; dicyanoacetylene radical cation; Nonadiabatic quantum dynamics; Pseudo-Renner-Teller effect; Renner-Teller effect

[Display omitted] •Vibronic coupling in the first five electronic states of symmetric linear dicyanoacetylene radical cation is studied in this paper.•Effect of both Renner-Teller and pseudo-Renner-Teller coupling of electronic states on the vibronic band structure, internal conversion dynamics and...