Theoretical Study of the O2 + Al4 (Tetrahedral) System in Its Singlet State and Comparisons with Its Triplet State

2012 ◽  
Vol 116 (31) ◽  
pp. 16430-16435 ◽  
Author(s):  
Naoum C. Bacalis ◽  
Aristophanes Metropoulos ◽  
Axel Gross
Keyword(s):  
Triplet State ◽  
Theoretical Study ◽  
Singlet State ◽  
Tetrahedral System

Theoretical Study on the Singlet-state and the Triplet-state Mechanisms for the Reaction CH3O with NO

1996 ◽  
Vol 12 (05) ◽  
pp. 391-395
Author(s):  
Pang Xian-Yong ◽  
◽  
Feng Wen-Lin ◽  
Wang Yan ◽  
Zhang Shao-Wen
Keyword(s):  
Triplet State ◽  
Theoretical Study ◽  
Singlet State

Aggregation controlled photoluminescence of hexaazatri-naphthylene (HATN) – an experimental and theoretical study

2020 ◽  
Vol 22 (27) ◽  
pp. 15437-15447
Author(s):  
Olaf Morawski ◽  
Jerzy Karpiuk ◽  
Paweł Gawryś ◽  
Andrzej L. Sobolewski
Keyword(s):  
Solid State ◽  
Triplet State ◽  
Theoretical Study ◽  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet

Photophysics of hexaazatrinaphthylene (HATN) in solution and in the solid state is determined by the nπ* character of its lowest excited singlet state and by the ππ* character of the first triplet state, and changes upon aggregation.

Photolysis of ketene. I

1968 ◽  
Vol 46 (14) ◽  
pp. 2353-2360 ◽  
Author(s):  
A. N. Strachan ◽  
D. E. Thornton
Keyword(s):  
Carbon Monoxide ◽  
Quantum Yield ◽  
Triplet State ◽  
Singlet State ◽  
Inert Gases ◽  
Inert Gas ◽  
Excited Singlet State ◽  
Intersystem Crossing ◽  
Excited Singlet ◽  
Increasing Temperature

Ketene has been photolyzed at 3660 and 3130 Å both alone and in the presence of the inert gases C4F8 and SF6. The quantum yield of carbon monoxide has been determined at both wavelengths as a function of pressure and temperature. At 3660 Å the quantum yield decreases with increasing pressure but increases with increasing temperature. At 3130 Å the quantum yield with ketene alone remains 2.0 at both 37 and 100 °C at pressures up to 250 mm. At higher pressures of ketene or with added inert gas the quantum yield decreases with increasing pressure. The results are interpreted in terms of a mechanism in which intersystem crossing from the excited singlet state to the triplet state occurs at both wavelengths, and collisional deactivation of the excited singlet state by ketene is single stage at 3660 Å but multistage at 3130 Å.

Sulfamoyl nitrenes: singlet or triplet ground state?

2018 ◽  
Vol 54 (48) ◽  
pp. 6136-6139 ◽  
Author(s):  
Yan Lu ◽  
Hongmin Li ◽  
Manabu Abe ◽  
Didier Bégué ◽  
Huabin Wan ◽  
...  
Keyword(s):  
Triplet State ◽  
Ground State ◽  
Singlet State ◽  
Minimum Energy ◽  
Closed Shell ◽  
Low Energy ◽  
Energy Minimum ◽  
Triplet Ground State ◽  
Crossing Point

Two prototypical sulfamoyl nitrenes R2NS(O)2–N (R = H and Me) in the triplet state were generated via the closed-shell singlet state by passing a low-energy minimum energy crossing point (MECP).

Theoretical study of triplet state properties of free-base porphin

2005 ◽  
Vol 312 (1-3) ◽  
pp. 299-309 ◽  
Author(s):  
Oleksandr Loboda ◽  
Ingvar Tunell ◽  
Boris Minaev ◽  
Hans Ågren
Keyword(s):  
Triplet State ◽  
Theoretical Study ◽  
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