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Intersystem crossing in methylene
Chemical Physics Letters, 1970Abstract Singlet-triplet intersystem crossing in methylene is considered as a two step process: (a) reversible intramolecular equilibration of singlet and triplet species, and (b) collisional deactivation of the vibrationally excited triplet state. The overall process is predicted to be bimolecular, in agreement with the experimental observation of ...
Tai Yup Chang, Harold Basch
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The intersystem crossings in glyoxal
Molecular Physics, 1976The mechanisms of the intersystem crossing processes of glyoxal have been investigated through the microwave induced delayed phosphorescence (MIDP) experiment, the measurements of the phosphorescence quantum yield and lifetimes, and numerical calculations of the electronic parts of the coupling matrix elements.
Nobuyuki Nishi +2 more
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Intersystem crossing in methylene
Chemical Physics Letters, 1969Abstract The rate of singlet-triplet intersystem crossing in methylene is a second-order process requiring collisional perturbation to couple with the triplet manifold so that the transition can occur. The efficiency of the process increases with increasing mass of the collision partner, but nevertheless is relatively slow, requiring in excess of 200
Thomas W. Eder +2 more
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Understanding and Controlling Intersystem Crossing in Molecules
Annual Review of Physical Chemistry, 2021This review article focuses on the understanding of intersystem crossing (ISC) in molecules. It addresses readers who are interested in the phenomenon of intercombination transitions between states of different electron spin multiplicities but are not familiar with relativistic quantum chemistry.
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Intersystem crossing in anthracene
Chemical Physics Letters, 1970Abstract A temperature dependent intersystem crossing rate is observed below ca. 170°K for anthracene in methyl tetrahydrofuran. From the temperature dependence of the 0,0 bands in absorption and emission, this is interpreted as being due to slow lattice relaxation in the excited singlet state.
T.F. Hunter, R.F. Wyatt
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Unexpected intersystem crossing
Nature Chemistry, 2019Intersystem crossing plays a role in the mechanism of many reactive collisions between atomic species and organic molecules, and has been generally observed when the reactants are still approaching one another. Now, intersystem crossing has been observed to also occur after their initial interaction.
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Studies of intersystem crossing dynamics in acetylene
The Journal of Chemical Physics, 2007We report a new ab initio study of the acetylene T3 potential energy surface, which clarifies the nature of its energy minimum, and present computed equilibrium geometries and diabatic frequencies. This information enables the computation of harmonic vibrational overlap integrals of T3 vibrational levels with the S1 3ν3 state.
Ryan L, Thom +3 more
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Rapid intersystem crossings in anti bimanes
Physical Chemistry Chemical Physics, 2016First principles electronic structure calculations show that T 2 in anti bimanes are effective conduits for very fast intersystem crossings from S 1 into the triplet manifold.
T S, Chwee +4 more
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Intersystem crossing in molecular dimers
Chemical Physics Letters, 1978Abstract Intersystem crossing in molecular pairs is examined in relation to the structure of the pair. Simple relationships are derived which differ from previously reported ones by the inclusion of the vibronic nature of intersystem crossing.
Michael K. Bowman, James R. Norris
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Matrix elements for intersystem crossing
Chemical Physics Letters, 1975Abstract A new formulation of intersystem-crossing matrix elements is presented which includes correction for prompt scattering and avoids the Herzberg-Teller expansion for nonadiabatic coupling.
Willem Siebrand, Marek Z. Zgierski
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