Steric and electric field driven distortions in aromatic molecules: spontaneous and non-spontaneous symmetry breaking

The structures of molecules form the cornerstone of our chemical knowledge. Lowering of symmetry in closed-shell molecules is often attributed to the Pseudo Jahn-Teller (PJT) distortions wherein non-adiabatic coupling (NAC) between the ground state and excited states creates vibrational instability...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-11, Vol.18 (45), p.31160-31167
Hauptverfasser:	Bhattacharyya, Kalishankar, Surendran, Ammu, Chowdhury, Chandra, Datta, Ayan
Format:	Artikel
Sprache:	eng
Schlagworte:	Broken symmetry Coupling (molecular) Distortion Electric fields Instability Molecular structure Spontaneous Symmetry
Online-Zugang:	Volltext
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