CPL calculations of [7]helicenes with alleged exceptional emission dissymmetry values

Author:

Guido Ciro A.1ORCID,Zinna Francesco2ORCID,Pescitelli Gennaro2ORCID

Affiliation:

1. Dipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, Alessandria, Italy

2. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Pisa, Italy

Abstract

Probing the Chiroptical Enigma: compelling evidence calling for a re-evaluation of experimentalglumvalues of two 1,1′-bitriphenylene-based [7]helicenes is obtained by TD-DFT simulations with advanced state-specific solvation effects.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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