Pseudo-Jahn-Teller Effect-Regulated Structural Distortion in WNb12O33 Triggering Highly Stable and Fast-Charge Lithium Storage.
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DOI: 10.1021/acs.inorgchem.5c01312
Abstract: WNb12O33 with a ReO3 shear structure offers high lithium storage capacity but suffers from poor electron/ion transport. Hence, exploring an effective strategy aimed at enhancing intrinsic conductivity while maintaining a robust crystal framework is a… read more here.
Keywords: structural distortion; jahn teller; lithium storage; pseudo jahn ... See more keywords
EPR and 31P ENDOR Characterization of Pseudo-Jahn-Teller Dynamics and N2 Activation in Functional Nitrogenase Models, P3EM(N2) (M = Fe, Co; E = Si, B, C).
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DOI: 10.1021/acs.inorgchem.5c02760
Abstract: The nominally trigonal, pseudo-Jahn-Teller (PJT)-active, S = 1/2 N2-bound complexes, P3EM(N2), M = Fe, Co, with three in-plane phosphine ligands and axial donors, E = Si, B, C, include functional nitrogenase models that catalyze the… read more here.
Keywords: jahn teller; functional nitrogenase; pseudo jahn; 31p endor ... See more keywords
How Does Pseudo-Jahn-Teller Effect Induce the Photoprotective Potential of Curcumin?
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DOI: 10.3390/molecules28072946
Abstract: In this paper, the molecular and electronic structure of curcumin is studied. High-symmetric gas-phase tautomers and their deprotonated forms in various symmetry groups are identified. The stability of lower-symmetry structures was explained by using the… read more here.
Keywords: effect; pjt effect; pseudo jahn; curcumin ... See more keywords
Pseudo-Jahn–Teller Effect in Natural Compounds and Its Possible Role in Straintronics I: Hypericin and Its Analogs
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DOI: 10.3390/molecules29235624
Abstract: The distortions and instability of high-symmetry configurations of polyatomic systems in nondegenerate states are usually ascribed to the pseudo-Jahn–Teller effect (PJTE). The geometries of hypericin, isohypericin, and fringelite D were optimized within various symmetry groups.… read more here.
Keywords: symmetry descent; jahn teller; pseudo jahn; hypericin analogs ... See more keywords