Enhanced intersystem crossing in the oxygen quenching of aromatic hydrocarbon triplet states with high energies

1982 ◽  
Vol 78 (5) ◽  
pp. 769 ◽  
Author(s):  
Gerald J. Smith
Keyword(s):  
Aromatic Hydrocarbon ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Oxygen Quenching ◽  
High Energies

scholarly journals Intersystem crossing rates of single perylene molecules in ortho-dichlorobenzene

2016 ◽  
Vol 18 (26) ◽  
pp. 17655-17659 ◽  
Author(s):  
Nico R. Verhart ◽  
Pedro Navarro ◽  
Sanli Faez ◽  
Michel Orrit
Keyword(s):  
Optical Switching ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Spin States ◽  
Molecular Fluorescence

Triplet states can be interesting for optical switching of molecular fluorescence as well as quantum experiments relying on the manipulation of spin states.

Intersystem crossing to higher triplet states in isolated molecules

1973 ◽  
Vol 22 (1) ◽  
pp. 150-153 ◽  
Author(s):  
U. Laor ◽  
J.C. Hsieh ◽  
P.K. Ludwig
Keyword(s):  
Intersystem Crossing ◽  
Triplet States ◽  
Isolated Molecules

Trifluoromethylphenylcarbenes. Carbene-Carbene Interconversion on the Singlet Energy Surface and Rearrangement to Trifluorobenzocyclobutene, Trifluorostyrene, and Trifluoromethylfulvenallenes

2015 ◽  
Vol 68 (1) ◽  
pp. 36 ◽  
Author(s):  
Rodney J. Blanch ◽  
Curt Wentrup
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Esr Spectroscopy ◽  
Energy Surface ◽  
Esr Spectra ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Long Wavelength ◽  
Spin Resonance ◽  
Triplet Carbenes

The four isomeric α-, ortho-, meta-, and para-trifluoromethylphenylcarbenes were generated by photolysis of the corresponding 3-phenyl-3-trifluoromethyldiazirene 1 or the four isomeric trifluoromethylphenyldiazomethanes 2 and 4–6. The four corresponding triplet trifluoromethylphenylcarbenes 3 and 7–9 were observed by electron spin resonance (ESR) spectroscopy in Ar matrices at 14 K. The α- and ortho-carbenes 3 and 7 and the ortho- and para-carbenes 7 and 9 interconvert partially when generated by short-wavelength photolysis (350 nm) before intersystem crossing to the triplet states. The triplet states do not undergo further Carbene-Carbene interconversion. The interconversions are assumed to take place via the meta-trifluoromethylphenylcarbene 8. When the ortho- and para-carbenes are generated by long-wavelength photolysis (>450 nm), the discrete, non-interconverting triplet carbenes are observed in the ESR spectra. Flash vacuum thermolysis of the diazirene 1 at 500°C afforded a mixture of bis(trifluoromethyl)heptafulvalenes 11, bis(trifluoromethyl)stilbenes 12, and bis(trifluoromethyl)anthracenes 13, and the presence of their likely precursor(s), trifluoromethylcycloheptatetraene(s), was confirmed by a peak at 1830 cm–1 in the Ar matrix IR spectrum. In addition, at 700°C, four monomeric carbene rearrangement products were isolated and characterised, viz. 1,1,2-trifluorobenzocyclobutene 14, 1′,2′,2′-trifluorostyrene 15, and 1- and 2-trifluoromethylfulvenallenes 16 and 17.

scholarly journals The role of Duschinsky rotation in intersystem crossing: A case study of uracil

2011 ◽  
Vol 76 (12) ◽  
pp. 1649-1660 ◽  
Author(s):  
Mihajlo Etinski
Keyword(s):  
Correlation Function ◽  
Normal Modes ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Cumulant Expansion ◽  
Time Approximation ◽  
Energy Gaps ◽  
Singlet And Triplet States ◽  
Quantitative Results ◽  
Short Time

The intersystem crossing rate for the transition between the lowest excited singlet and triplet electronic states of uracil was studied by means of ab initio methods. The rate was evaluated using the timedependent approach based on the correlation function and its two approximations: the second-order cumulant expansion and the short-time approximation. The normal modes of the singlet and triplet states are related by the Duschinsky transformation, i.e., by rotation and translation. It was found that for singlet-triplet adiabatic energy gaps below 6000 cm-1, the inclusion of the Duschinsky rotation is necessary for quantitative results. Above energy gaps of 6000 cm-1, the rates obtained with and without the Duschinsky rotation are similar. The cumulant expansion approximates well the correlation function. The short-time approximation, although crude, can be used as the first estimate of the rate.

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