scholarly journals Incipient singlet-triplet states in a hybrid mesoscopic system

2018 ◽  
Vol 97 (24) ◽  
Author(s):  
Chengyu Yan ◽  
Sanjeev Kumar ◽  
Michael Pepper ◽  
Patrick See ◽  
Ian Farrer ◽  
...  
Keyword(s):  
Triplet States ◽  
Mesoscopic System

Piezospectroscopic studies of the triplet states of RbMnF3

1979 ◽  
Vol 40 (2) ◽  
pp. 175-180 ◽  
Author(s):  
J. Ferré ◽  
R.H. Petit ◽  
E.I. Solomon
Keyword(s):  
Triplet States

Two scales of quantum effects in a mesoscopic system of degenerate electrons

2020 ◽  
Author(s):  
Sergei E. Kuratov ◽  
Dmitry S. Shidlovski ◽  
Sergei I. Blinnikov ◽  
Sergey Yu. Igashov
Keyword(s):  
Quantum Effects ◽  
Mesoscopic System

The bounding energy for singlet and triplet states of the negative muonium ion

2011 ◽  
Vol 30 (0) ◽  
pp. 240-245 ◽  
Author(s):  
М. Гайсак ◽  
М. Гнатич ◽  
Ю. Федорняк
Keyword(s):  
Triplet States ◽  
Singlet And Triplet States

Restriction of Access to Dark State: A New Mechanistic Model for Heteroatom-Containing AIE Systems

2019 ◽  
Author(s):  
Yujie Tu ◽  
Junkai Liu ◽  
Haoke Zhang ◽  
Qian Peng ◽  
Jacky W. Y. Lam ◽  
...  
Keyword(s):  
Excited States ◽  
Radiative Decay ◽  
Molecular Design ◽  
Mechanistic Model ◽  
Zinc Ion ◽  
Easy Access ◽  
Triplet States ◽  
Dark State ◽  
Ion Probe ◽  
Π State

Aggregation-induced emission (AIE) is an unusual photophysical phenomenon and provides an effective and advantageous strategy for the design of highly emissive materials in versatile applications such as sensing, imaging, and theragnosis. "Restriction of intramolecular motion" is the well-recognized working mechanism of AIE and have guided the molecular design of most AIE materials. However, it sometimes fails to be workable to some heteroatom-containing systems. Herein, in this work, we take more than one excited state into account and specify a mechanism –"restriction of access to dark state (RADS)" – to explain the AIE effect of heteroatom-containing molecules. An anthracene-based zinc ion probe named APA is chosen as the model compound, whose weak fluorescence in solution is ascribed to the easy access from the bright (π,π*) state to the closelying dark (n,π*) state caused by the strong vibronic coupling of the two excited states. By either metal complexation or aggregation, the dark state is less accessible due to the restriction of the molecular motion leading to the dark state and elevation of the dark state energy, thus the emission of the bright state is restored. RADS is found to be powerful in elucidating the photophysics of AIE materials with excited states which favor non-radiative decay, including overlap-forbidden states such as (n,π*) and CT states, spin-forbidden triplet states, which commonly exist in heteroatom-containing molecules.

Role of Triplet States in the Photodynamics of Aniline

2021 ◽  
Vol 143 (15) ◽  
pp. 5878-5889
Author(s):  
Aleksandr O. Lykhin ◽  
Donald G. Truhlar ◽  
Laura Gagliardi
Keyword(s):  
Triplet States

scholarly journals Exploitation of Baird Aromaticity and Clar’s Rule for Tuning the Triplet Energies of Polycyclic Aromatic Hydrocarbons

Chemistry ◽  
2021 ◽  
Vol 3 (2) ◽  
pp. 532-549
Author(s):  
Felix Plasser
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Excited States ◽  
Aromatic Hydrocarbons ◽  
Density Functional ◽  
Materials Science ◽  
Chemical Shifts ◽  
Qualitative Description ◽  
Triplet States ◽  
Excitation Energies ◽  
Polycyclic Aromatic

Polycyclic aromatic hydrocarbons (PAH) are a prominent substance class with a variety of applications in molecular materials science. Their electronic properties crucially depend on the bond topology in ways that are often highly non-intuitive. Here, we study, using density functional theory, the triplet states of four biphenylene-derived PAHs finding dramatically different triplet excitation energies for closely related isomeric structures. These differences are rationalised using a qualitative description of Clar sextets and Baird quartets, quantified in terms of nucleus independent chemical shifts, and represented graphically through a recently developed method for visualising chemical shielding tensors (VIST). The results are further interpreted in terms of a 2D rigid rotor model of aromaticity and through an analysis of the natural transition orbitals involved in the triplet excited states showing good consistency between the different viewpoints. We believe that this work constitutes an important step in consolidating these varying viewpoints of electronically excited states.

scholarly journals On the Population of Triplet States of 2-Seleno-Thymine

2021 ◽  
Author(s):  
Danillo Valverde ◽  
Sebastian Mai ◽  
Adalberto Vasconcelos Sanches de Araujo ◽  
Sylvio Canuto ◽  
Leticia Gonzalez ◽  
...  
Keyword(s):  
Potential Energy ◽  
Critical Points ◽  
Triplet States

The population and depopulation mechanisms leading to the lowest-lying triplet states of the 2-Se-Thymine were studied at the MS-CASPT2/cc-pVDZ level of theory. Several critical points on different potential energy hypersurfaces...

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