Inverse optically-induced ring currents in ring-shaped molecules

Autor: Nandipati, Krishna Reddy, Sasmal, Sudip, Vendrell, Oriol

Permanent electronic ring currents can be supported within a manifold of $\Gamma_E$ degenerate excited electronic states as $E_{\pm} = E_x \pm i E_y$ excitations. This requires at least a 3-fold-symmetry rotational axis or higher, and includes the su

Externí odkaz: http://arxiv.org/abs/2403.00328

On the generation of electronic ring currents under vibronic coupling effects.

Autor: Nandipati, Krishna Reddy, Vendrell, Oriol

Publikováno v: Journal of Chemical Physics; 12/14/2020, Vol. 153 Issue 22, p1-8, 8p

Inverse Optically-Induced Ring Currents in Ring-Shaped Molecules.

Autor: Nandipati KR; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany.; Department of Chemistry, Indian Institute of Technology Madras, 600036 Chennai, India., Sasmal S; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany., Vendrell O; Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany.; Interdisciplinary Center for Scientific Computing, Universität Heidelberg, Im Neuneheimer Feld 205, 69120 Heidelberg, Germany.

Publikováno v: The journal of physical chemistry letters [J Phys Chem Lett] 2024 May 16; Vol. 15 (19), pp. 5034-5040. Date of Electronic Publication: 2024 May 02.