scholarly journals Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”

2020 ◽  
Vol 59 (24) ◽  
pp. 9228-9230 ◽  
Author(s):  
Peter B. Karadakov ◽  
Shohei Saito
Keyword(s):  
Excited State ◽  
Dft Calculations ◽  
Electron System ◽  
Singlet Excited State

Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State

2019 ◽  
Vol 131 (34) ◽  
pp. 11812-11816 ◽  
Author(s):  
Ikuo Kawashima ◽  
Hiroaki Imoto ◽  
Masatoshi Ishida ◽  
Hiroyuki Furuta ◽  
Shunsuke Yamamoto ◽  
...  
Keyword(s):  
Excited State ◽  
Electron System ◽  
Singlet Excited State

Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State

2019 ◽  
Vol 58 (34) ◽  
pp. 11686-11690 ◽  
Author(s):  
Ikuo Kawashima ◽  
Hiroaki Imoto ◽  
Masatoshi Ishida ◽  
Hiroyuki Furuta ◽  
Shunsuke Yamamoto ◽  
...  
Keyword(s):  
Excited State ◽  
Electron System ◽  
Singlet Excited State

Amino derivatives of symmetric 1,3,5-triphenylbenzene. Nature of the polar singlet excited state.

1993 ◽  
Vol 176 (1) ◽  
pp. 195-213 ◽  
Author(s):  
G. Verbeek ◽  
S. Depaemelaere ◽  
M. Van der Auweraer ◽  
F.C. De Schryver ◽  
A. Vaes ◽  
...  
Keyword(s):  
Excited State ◽  
Singlet Excited State ◽  
Amino Derivatives ◽  
Derivatives Of

Thionine–graphene oxide covalent hybrid and its interaction with light

2017 ◽  
Vol 19 (22) ◽  
pp. 14412-14423 ◽  
Author(s):  
Ewelina Krzyszkowska ◽  
Justyna Walkowiak-Kulikowska ◽  
Sven Stienen ◽  
Aleksandra Wojcik
Keyword(s):  
Electron Transfer ◽  
Graphene Oxide ◽  
Excited State ◽  
Transfer Process ◽  
Singlet Excited State ◽  
Functionalized Graphene ◽  
Electron Transfer Process ◽  
Functionalized Graphene Oxide ◽  
Back Electron Transfer

Quenching of the thionine singlet excited state in covalently functionalized graphene oxide with an efficient back electron transfer process.

The photocycloaddition of dibenzoylmethanatoboron difluoride (DBMBF2) with conjugated enones and en-esters

1993 ◽  
Vol 71 (6) ◽  
pp. 846-854 ◽  
Author(s):  
Yuan L. Chow ◽  
Shi-Sen Wang ◽  
Xian-En Cheng
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Ring Opening ◽  
Electron Donors ◽  
Head Orientation ◽  
Singlet Excited State ◽  
Methyl Substitution ◽  
Unsaturated Ketones ◽  
Dibenzoylmethanatoboron Difluoride

Dibenzoylmethanatoboron difluoride (DBMBF2), the BF2 complex of dibenzoylmethane, reacted from its singlet excited state with α,β-unsaturated ketones and esters to give 1,5-diketones by a [2+2] cycloaddition and ring-opening sequence in an analogous pathway to that observed in the photocycloaddition to olefins and dienes. The present photoreaction is unexpected since conjugated enones and en-esters are poor electron donors to comply with the previously proposed charge transfer requirement in DBMBF2 photoreactions. The photocycloaddition to these substrates was highly regioselective and stereoselective, giving the head-to-head orientation, which could be enhanced by α-methyl substitution; β-methyl substitution increased the alternate head-to-tail orientation. The photolysis of a mixture of DBMBF2 and a cyclic enone also caused the latter to dimerize to give head-to-head and head-to-tail dimers in significant yields. These photodimerizations were apparently caused by DBMBF2 sensitization. The mechanism of the sensitization is discussed.

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