Phenyl Radical, Cation, and Anion. The Triplet−Singlet Gap and Higher Excited States of the Phenyl Cation

1997 ◽  
Vol 119 (34) ◽  
pp. 8083-8088 ◽  
Author(s):  
Athanassios Nicolaides ◽  
David M. Smith ◽  
Frank Jensen ◽  
Leo Radom
Keyword(s):  
Excited States ◽  
Radical Cation ◽  
Phenyl Radical ◽  
Phenyl Cation ◽  
Higher Excited States

Effects of Ultrasounds on Neat nitrobenzene

2019 ◽  
Vol 70 (8) ◽  
pp. 3085-3088
Author(s):  
Carmen Eugenia Stavarache ◽  
Yasuaki Maeda ◽  
Mircea Vinatoru
Keyword(s):  
Nitro Group ◽  
Radical Cation ◽  
Reaction Mechanisms ◽  
Diphenyl Ether ◽  
Argon Atmosphere ◽  
Phenyl Radical ◽  
Dissolved Gas ◽  
Decomposition Products ◽  
Oxygenated Compounds ◽  
Phenyl Cation

Neat nitrobenzene was continuously irradiated at two ultrasonic frequencies: 40 and 200 kHz, under air and argon atmosphere, respectively. Samples taken at intervals of 1, 5, 10 and 24 h were analyzed by GC-MS and decomposition products were identified. Possible reaction mechanisms are discussed. Presence of air as dissolved gas leads to oxygenated compounds such as 1,4-benzoquinone, 2,4-dinitrophenol, m-dinitrobenzene while argon inhibits the decomposition of nitrobenzene, especially at sonication times under 5 h. Based on the nature of the compounds identified we advanced a mechanism, involving a divergent splitting of unstable radical cation of NB in air and argon respectively. Thus, under air, the phenyl cation formation is preferred leading to 1,4-benzoquinone nitro-biphenyls and dinitrobenzene, while under argon, the phenyl radical formation seems to be favored, leading to phenol and diphenyl ether. The oxygenated compounds detected under argon clearly are a consequence of the nitro group splitting.

Evaluation of Luminescence Decay Measurements Probed on Pure and Doped Pt(IV) Hexahalogeno Complexes. II. Molecular Properties Obtained from Temperature Dependent Lifetime Curves

1997 ◽  
Vol 52 (5) ◽  
pp. 447-456
Author(s):  
Ingo Biertümpel ◽  
Hans-Herbert Schmidtke
Keyword(s):  
Excited States ◽  
Ground State ◽  
Energy Levels ◽  
Decay Rates ◽  
Rate Equations ◽  
Temperature Dependent ◽  
Lifetime Measurements ◽  
Thermally Activated ◽  
Ground State Energies ◽  
Higher Excited States

Abstract Lifetime measurements down to nearly liquid helium temperatures are used for determining energy levels and transition rates between excited levels and relaxations into the ground state. Energies are obtained from temperature dependent lifetimes by fitting experimental curves to model functions pertinent for thermally activated processes. Rates are calculated from solutions of rate equations. Similar parameters for pure and doped Pt(IV) hexahalogeno complexes indicate that excited levels largely belong to molecular units. Some of the rates between excited states are only somewhat larger than decay rates into the ground state, which is a consequence of the polyexponential decay measured also at low temperature (2 K). In the series of halogen complexes, the rates between spinorbit levels resulting from 3T1g increase from fluorine to bromine, although energy splittings become larger. Due to the decreasing population of higher excited states in this series, K^PtFö shows a tri-exponential, K2PtCl6 a bi-exponential and FoPtBr6 a mono-exponential decay. In the latter case the population density of higher excited states relaxes so fast that emission occurs primarily from the lowest excited Γ3(3T1g) level. Phase transitions and emission from chromophores on different sites can also be observed.

Spin assignments for some higher excited states in34S

1972 ◽  
Vol 5 (7) ◽  
pp. 1073-1089 ◽  
Author(s):  
G D Jones ◽  
E M Jayasinghe ◽  
P J Mulhern ◽  
I G Main ◽  
P J Twin
Keyword(s):  
Excited States ◽  
Higher Excited States

Spectroscopic proprieties of the ground and the higher excited states of the KCs

2020 ◽  
Vol 53 (23) ◽  
pp. 235102
Author(s):  
Héla Habli ◽  
Leila Mejrissi ◽  
Soulef Jellali ◽  
Brahim Oujia
Keyword(s):  
Excited States ◽  
Higher Excited States

scholarly journals Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

2019 ◽  
Vol 21 (31) ◽  
pp. 16981-16988 ◽  
Author(s):  
M. Nazari ◽  
C. D. Bösch ◽  
A. Rondi ◽  
A. Francés-Monerris ◽  
M. Marazzi ◽  
...  
Keyword(s):  
Excited State ◽  
Excited States ◽  
Aromatic Hydrocarbons ◽  
Ultrafast Dynamics ◽  
Simultaneous Presence ◽  
Conical Intersections ◽  
Polycyclic Aromatic ◽  
Adiabatic Transitions ◽  
Proper Interpretation ◽  
Higher Excited States

Proper interpretation of phenanthrene's and similar PAHs’ photocycle relies on two higher excited state relaxations due to the simultaneous presence of non-adiabatic and adiabatic transitions.

Disulfide bond photochemistry: the effects of higher excited states and different molecular geometries on disulfide bond cleavage

2019 ◽  
Vol 21 (8) ◽  
pp. 4176-4183 ◽  
Author(s):  
Jun Cao ◽  
Dong-Chu Chen
Keyword(s):  
Excited State ◽  
Excited States ◽  
Disulfide Bond ◽  
Bond Cleavage ◽  
Trajectory Simulations ◽  
Higher Excited States

We have investigated the light-induced cleavage of disulfide bond using MS-CASPT2 based trajectory simulations and provided insights into the intrinsic excited state properties of disulfide molecules.

Ground and excited states of thioketene radical cation, H2CCS⊕

1977 ◽  
Vol 22 (3) ◽  
pp. 453-458 ◽  
Author(s):  
P. Rosmus ◽  
B. Solouki ◽  
H. Bock
Keyword(s):  
Excited States ◽  
Radical Cation
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