Ab initio QM/MM study of excited state electron transfer between pyrene and 4,4?-bis(dimethylamino)-diphenylmethane with different solvent systems: Role of hydrogen bonding within solvent molecules

2005 ◽  
Vol 102 (4) ◽  
pp. 368-378 ◽  
Author(s):  
Kakali Sen ◽  
Samita Basu ◽  
Dhananjay Bhattacharyya
Nano Letters ◽  
2021 ◽  
Author(s):  
Suyog Padgaonkar ◽  
Christopher T. Eckdahl ◽  
Jakub K. Sowa ◽  
Rafael López-Arteaga ◽  
Dana E. Westmoreland ◽  
...  

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Jinseok Kim ◽  
Juwon Oh ◽  
Seongchul Park ◽  
Jose L. Zafra ◽  
Justin R. DeFrancisco ◽  
...  

Abstract The scientific significance of excited-state aromaticity concerns with the elucidation of processes and properties in the excited states. Here, we focus on TMTQ, an oligomer composed of a central 1,6-methano[10]annulene and 5-dicyanomethyl-thiophene peripheries (acceptor-donor-acceptor system), and investigate a two-electron transfer process dominantly stabilized by an aromatization in the low-energy lying excited state. Our spectroscopic measurements quantitatively observe the shift of two π-electrons between donor and acceptors. It is revealed that this two-electron transfer process accompanies the excited-state aromatization, producing a Baird aromatic 8π core annulene in TMTQ. Biradical character on each terminal dicyanomethylene group of TMTQ allows a pseudo triplet-like configuration on the 8π core annulene with multiexcitonic nature, which stabilizes the energetically unfavorable two-charge separated state by the formation of Baird aromatic core annulene. This finding provides a comprehensive understanding of the role of excited-state aromaticity and insight to designing functional photoactive materials.


1991 ◽  
Vol 95 (25) ◽  
pp. 10485-10492 ◽  
Author(s):  
Keisuke Tominaga ◽  
Gilbert C. Walker ◽  
Tai Jong Kang ◽  
Paul F. Barbara ◽  
Teresa Fonseca

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