Inversion isomerism induced by the Pseudo Jahn-Teller Effect in X2CE molecules (X = H, F; E = O, S, Se) in their reduced and excited states
Natalia Gorinchoy,
Iolanta Balan,
Victor Polinger
et al.
Abstract:The pseudo-Jahn-Teller effect (PJTE) is employed to reveal the origin of molecular geometry changes induced by reduction and excitation, using a series of X2CE molecules (X = H, F, Cl; E = C, S, Se) as examples. Their nuclear configuration is planar with C
2v symmetry in the ground electronic state. However, when reduced, they acquire a nonplanar pyramidal structure with an elongated C-E bond in their ground and lowest excited electronic states 1A2 and 3A2. It is shown that these distortions … Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.