Diradical Character Based Design for Singlet Fission of Condensed-Ring Systems with 4nπ Electrons

2012 ◽  
Vol 116 (37) ◽  
pp. 19729-19736 ◽  
Author(s):  
Soichi Ito ◽  
Takuya Minami ◽  
Masayoshi Nakano
Keyword(s):  
Singlet Fission ◽  
Ring Systems ◽  
Diradical Character

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

2020 ◽  
Author(s):  
Ekadashi Pradhan ◽  
Jordan N. Bentley ◽  
Christopher B. Caputo ◽  
Tao Zeng
Keyword(s):  
Computational Chemistry ◽  
Singlet Fission ◽  
Diradical Character

This is a computational chemistry study in designing singlet fission chromophores based on a diazadiborine framework. Substitutions and additions are proposed to enhance diradical character of the diazadiborine so that the designed molecules satisfy the two energy criteria for singlet fission. Synthesizability of the designed molecules is discussed.

Diradical Character View of Singlet Fission

2011 ◽  
Vol 3 (2) ◽  
pp. 145-150 ◽  
Author(s):  
Takuya Minami ◽  
Masayoshi Nakano
Keyword(s):  
Singlet Fission ◽  
Diradical Character

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

2020 ◽  
Author(s):  
Ekadashi Pradhan ◽  
Jordan N. Bentley ◽  
Christopher B. Caputo ◽  
Tao Zeng
Keyword(s):  
Computational Chemistry ◽  
Singlet Fission ◽  
Diradical Character

This is a computational chemistry study in designing singlet fission chromophores based on a diazadiborine framework. Substitutions and additions are proposed to enhance diradical character of the diazadiborine so that the designed molecules satisfy the two energy criteria for singlet fission. Synthesizability of the designed molecules is discussed.

Fundamental of Diradical-Character-Based Molecular Design for Singlet Fission

2013 ◽  
Vol 4 (13) ◽  
pp. 2133-2137 ◽  
Author(s):  
Takuya Minami ◽  
Soichi Ito ◽  
Masayoshi Nakano
Keyword(s):  
Molecular Design ◽  
Singlet Fission ◽  
Diradical Character

Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

2019 ◽  
Vol 21 (15) ◽  
pp. 7941-7952 ◽  
Author(s):  
Diego López-Carballeira ◽  
María Zubiria ◽  
David Casanova ◽  
Fernando Ruipérez
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Structural Modification ◽  
Singlet Fission ◽  
Diradical Character ◽  
Common Strategy

Quantum chemistry is employed to estimate the effects that the structural modification of 1,5- and 9,10-anthraquinones produces in their electronic structure, in the pursuit of a common strategy to improve the electrochemical and singlet fission features on conjugated quinones.

Comments on collision mechanics in ring systems

1984 ◽  
Vol 75 ◽  
pp. 407-422
Author(s):  
William K. Hartmann
Keyword(s):  
Asteroid Belt ◽  
Surface Erosion ◽  
Surface Layers ◽  
Ring Systems ◽  
Eclipse Observations ◽  
Saturn’S Rings ◽  
Saturn's Rings

ABSTRACTThe nature of collisions within ring systems is reviewed with emphasis on Saturn's rings. The particles may have coherent icy cores and less coherent granular or frosty surface layers, consistent with thermal eclipse observations. Present-day collisions of such ring particles do not cause catastrophic fragmentation of the particles, although some minor surface erosion and reaccretion is possible. Evolution by collisional fragmentation is thus not as important as in the asteroid belt.

Stochasting modeling of planetary ring systems

1984 ◽  
Vol 75 ◽  
pp. 461-469 ◽  
Author(s):  
Robert W. Hart
Keyword(s):  
Maximum Entropy ◽  
Ring System ◽  
The Sun ◽  
Ultimate State ◽  
Interparticle Interactions ◽  
Ring Systems ◽  
First Order ◽  
Planetary Ring ◽  
Insight Into

ABSTRACTThis paper models maximum entropy configurations of idealized gravitational ring systems. Such configurations are of interest because systems generally evolve toward an ultimate state of maximum randomness. For simplicity, attention is confined to ultimate states for which interparticle interactions are no longer of first order importance. The planets, in their orbits about the sun, are one example of such a ring system. The extent to which the present approximation yields insight into ring systems such as Saturn's is explored briefly.

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