Air stable high-spin blatter diradicals: non-Kekulé versus Kekulé structures

2019 ◽  
Vol 7 (22) ◽  
pp. 6559-6563 ◽  
Author(s):  
Xiaoguang Hu ◽  
Lei Zhao ◽  
Hanjiao Chen ◽  
Yousong Ding ◽  
Yan-Zhen Zheng ◽  
...  
Keyword(s):  
Excited State ◽  
High Spin ◽  
Ground States ◽  
Triplet Excited State ◽  
Kekulé Structures ◽  
Triplet Energy ◽  
Energy Gaps

1,2,4-Benzotriazinyl based stable diradicals possess singlet ground states and small singlet–triplet energy gaps with a thermal accessible triplet excited state.

scholarly journals Triplet energies and excimer formation in meta - and para -linked carbazolebiphenyl matrix materials

2015 ◽  
Vol 373 (2044) ◽  
pp. 20140446 ◽  
Author(s):  
Sergey A. Bagnich ◽  
Alexander Rudnick ◽  
Pamela Schroegel ◽  
Peter Strohriegl ◽  
Anna Köhler
Keyword(s):  
Excited State ◽  
Triplet State ◽  
Spectroscopic Investigation ◽  
Triplet Excited State ◽  
Conjugation Length ◽  
Triplet Energy ◽  
Excimer Formation

We present a spectroscopic investigation on the effect of changing the position where carbazole is attached to biphenyl in carbazolebiphenyl (CBP) on the triplet state energies and the propensity to excimer formation. For this, two CBP derivatives have been prepared with the carbazole moieties attached at the ( para ) 4- and 4 ′ -positions ( p CBP) and at the ( meta ) 3- and 3 ′ -positions ( m CBP) of the biphenyls. These compounds are compared to analogous m CDBP and p CDBP, i.e. two highly twisted carbazoledimethylbiphenyls, which have a high triplet energy at about 3.0 eV and tend to form triplet excimers in a neat film. This torsion in the structure is associated with localization of the excited state onto the carbazole moieties. We find that in m CBP and p CBP, excimer formation is prevented by localization of the triplet excited state onto the central moiety. As conjugation can continue from the central biphenyls into the nitrogen of the carbazole in the para -connected p CBP, emission involves mainly the benzidine. By contrast, the meta -linkage in m CBP limits conjugation to the central biphenyl. The associated shorter conjugation length is the reason for the higher triplet energy of 2.8 eV in m CBP compared with the 2.65 eV in p CBP.

Delicate modulation of triplet energy levels for activating “hot excitons” channels in deep red AIEgens

2020 ◽  
Vol 8 (40) ◽  
pp. 14146-14154
Author(s):  
Qing Wan ◽  
Bin Zhang ◽  
Yao Ma ◽  
Zhiming Wang ◽  
Tian Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
High Performance ◽  
State Energy ◽  
Energy Levels ◽  
Triplet Excited State ◽  
Triplet Energy ◽  
Excited State Energy ◽  
Exciton Type

A delicate modulation of triplet excited-state energy levels in deep-red AIEgens is reported for designing “hot exciton”-type OLED emitters with high performance.

Preparation of Bodipy–ferrocene dyads and modulation of the singlet/triplet excited state of bodipy via electron transfer and triplet energy transfer

2016 ◽  
Vol 4 (14) ◽  
pp. 2843-2853 ◽  
Author(s):  
Xueyan Wu ◽  
Wenting Wu ◽  
Xiaoneng Cui ◽  
Jianzhang Zhao ◽  
Mingbo Wu
Keyword(s):  
Electron Transfer ◽  
Energy Transfer ◽  
Excited State ◽  
Excited States ◽  
Singlet Excited State ◽  
Triplet Excited State ◽  
Triplet Energy ◽  
Triplet Excited States ◽  
Triplet Energy Transfer

Bodipy–ferrocene dyads were prepared for reversible electrochemical switching of the singlet excited state (fluorescence), as well as the triplet excited states of Bodipy.

scholarly journals A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet

2021 ◽  
Author(s):  
Haiyan Cui ◽  
Zhaobo Hu ◽  
Chao Chen ◽  
Huapeng Ruan ◽  
Yong Fang ◽  
...  
Keyword(s):  
High Spin ◽  
Single Molecule ◽  
Triplet Energy ◽  
Single Molecule Magnet ◽  
Organic Spintronics ◽  
Energy Gaps ◽  
Organic Magnets ◽  
Spin Filters ◽  
Promising Application

Triplet diradicals have attracted tremendous attention due to their promising application in organic spintronics, organic magnets and spin filters. However, very few examples of triplet diradicals with singlet-triplet energy gaps...

scholarly journals Tuning the singlet-triplet energy gap: a unique approach to efficient photosensitizers with aggregation-induced emission (AIE) characteristics

2015 ◽  
Vol 6 (10) ◽  
pp. 5824-5830 ◽  
Author(s):  
Shidang Xu ◽  
Youyong Yuan ◽  
Xiaolei Cai ◽  
Chong-Jing Zhang ◽  
Fang Hu ◽  
...  
Keyword(s):  
Excited State ◽  
Excited States ◽  
Energy Gap ◽  
Intersystem Crossing ◽  
Triplet Excited State ◽  
Triplet Energy ◽  
Aggregation Induced Emission ◽  
Unique Approach ◽  
Triplet Excited States

The efficiency of the intersystem crossing process can be improved by reducing the energy gap between the singlet and triplet excited states (ΔEST), which offers the opportunity to improve the yield of the triplet excited state.

Resolving the Quadruple Bonding Conundrum in C2 Using Insights Derived from Excited State Potential Energy Surfaces: A Molecular Orbital Perspective

2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Molecular Orbital ◽  
High Spin ◽  
Potential Energy Surfaces ◽  
Valence Bond ◽  
Deep Minimum ◽  
State Potential ◽  
Energy Surfaces ◽  
Mo Theory

The question of quadruple bonding in C<sub>2</sub> has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C<sub>2</sub>, N<sub>2</sub> and Be<sub>2</sub> and HC≡CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the<sup> 2S+1</sup>Σ<sub>g/u</sub> (with 2S+1=1,3,5,7,9) states of C<sub>2</sub> and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N<sub>2</sub> and HC≡CH, the presence of a deep minimum in the <sup>7</sup>Σ state of C<sub>2</sub> and CN<sup>+</sup> suggest a latent quadruple bonding nature in these two dimers. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures.

Charge Transfer States and Carrier Generation in 1D Organolead Iodide Semiconductors

2021 ◽  
Author(s):  
Eric Amerling ◽  
Yaxin Zhai ◽  
Bryon W. Larson ◽  
Yi Yao ◽  
Brian Fluegel ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Energy Harvesting ◽  
Metal Halide ◽  
Triplet Energy ◽  
Carrier Generation ◽  
Inorganic Components

Excited-state interactions between organic and inorganic components in hybrid metal halide semiconductors open up the possibility of moving charge and energy in deliberate ways, including energy funneling, triplet energy harvesting,...

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