hund’s rule
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Author(s):  
Juan Carlos Sancho-Garcia ◽  
Eric Bremond ◽  
Gaetano Ricci ◽  
Ángel José Pérez-Jiménez ◽  
Yoann Olivier ◽  
...  

2021 ◽  
Author(s):  
Mathieu Hautefeuille ◽  
Juan Hernández-Cordero

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yi Yu ◽  
Suman Mallick ◽  
Mao Wang ◽  
Karl Börjesson

AbstractStrong light-matter coupling provides the means to challenge the traditional rules of chemistry. In particular, an energy inversion of singlet and triplet excited states would be fundamentally remarkable since it would violate the classical Hund’s rule. An organic chromophore possessing a lower singlet excited state can effectively harvest the dark triplet states, thus enabling 100% internal quantum efficiency in electrically pumped light-emitting diodes and lasers. Here we demonstrate unambiguously an inversion of singlet and triplet excited states of a prototype molecule by strong coupling to an optical cavity. The inversion not only implies that the polaritonic state lies at a lower energy, but also a direct energy pathway between the triplet and polaritonic states is opened. The intrinsic photophysics of reversed-intersystem crossing are thereby completely overturned from an endothermic process to an exothermic one. By doing so, we show that it is possible to break the limit of Hund’s rule and manipulate the energy flow in molecular systems by strong light-matter coupling. Our results will directly promote the development of organic light-emitting diodes based on reversed-intersystem crossing. Moreover, we anticipate that it provides the pathway to the creation of electrically pumped polaritonic lasers in organic systems.


2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Ze-Yi Song ◽  
Xiu-Cai Jiang ◽  
Xiao-Fang Ouyang ◽  
Yu-Zhong Zhang
Keyword(s):  

Author(s):  
Ali Bayri ◽  
fatih bulut ◽  
Serdar Altin

In this study, we have looked the periodic table from the Barut’s point of view and discussed the deviations from the Madelung rule. Expected, observed and computed total energies (Hartree-Fock and Gaussian) are given for two different (one for expected and the other one is observed) configurations of the Cr atom. The data shows that preferred electronic configuration for the Cr is 4s13d5 not 4s23d4 as dictated by the Madelung rule. This event may be due to the spin correlation effect which is closely related to the Hund’s rule.


2020 ◽  
Author(s):  
Yi YU ◽  
Suman Mallick ◽  
Mao Wang ◽  
Karl Börjesson

Strong light-matter coupling provides the means to challenge the traditional rules of chemistry. In particular, an energy inversion of singlet and triplet excited states would be fundamentally remarkable since it would violate the classical Hund’s rule. An organic chromophore possessing a lower singlet excited state can effectively harvest the “dark” triplet states, thus enabling 100% internal quantum efficiency in electrically pumped light-emitting diodes and lasers. Here we demonstrate unambiguously an inversion of singlet and triplet excited states of a prototype molecule by strong coupling to an optical cavity. The inversion not only implies that the polaritonic state lies at a lower energy, but also a direct energy pathway between the triplet and polaritonic states is opened. The intrinsic photophysics of reversed-intersystem crossing are thereby completely overturned from an endothermic process to an exothermic one. By doing so, we show that it is possible to break the limit of Hund’s rule and manipulate the energy flow in molecular systems by strong light-matter coupling. Our results will directly promote the development of organic light-emitting diodes based on reversed-intersystem crossing. Moreover, we anticipate that it provides the pathway to the creation of electrically pumped polaritonic lasers in organic systems.


2020 ◽  
Author(s):  
Yi YU ◽  
Suman Mallick ◽  
Mao Wang ◽  
Karl Börjesson

Strong light-matter coupling provides the means to challenge the traditional rules of chemistry. In particular, an energy inversion of singlet and triplet excited states would be fundamentally remarkable since it would violate the classical Hund’s rule. An organic chromophore possessing a lower singlet excited state can effectively harvest the “dark” triplet states, thus enabling 100% internal quantum efficiency in electrically pumped light-emitting diodes and lasers. Here we demonstrate unambiguously an inversion of singlet and triplet excited states of a prototype molecule by strong coupling to an optical cavity. The inversion not only implies that the polaritonic state lies at a lower energy, but also a direct energy pathway between the triplet and polaritonic states is opened. The intrinsic photophysics of reversed-intersystem crossing are thereby completely overturned from an endothermic process to an exothermic one. By doing so, we show that it is possible to break the limit of Hund’s rule and manipulate the energy flow in molecular systems by strong light-matter coupling. Our results will directly promote the development of organic light-emitting diodes based on reversed-intersystem crossing. Moreover, we anticipate that it provides the pathway to the creation of electrically pumped polaritonic lasers in organic systems.


2019 ◽  
Vol 28 (11) ◽  
pp. 78-85 ◽  
Author(s):  
O. V. Mikhailov

The article discusses the questions concerning the presentation of the essence of the D.I. Mendeleev’s Periodic Law in the modern educational process in the framework of general educational and special chemical disciplines “General Chemistry”, “Inorganic Chemistry” and others. Some incorrectness have been noted both in the formulation of the Periodic Law itself and in the formulations of principles that are fundamental to the interpretation of this law (Hund’s rule, Pauli’s principle, Klechkovsky’s rule). Also, the article proposes the amended formulations of Mendeleev’s Periodic Law and each of these three principles.


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