Enhanced intersystem crossing in core-twisted aromatics
نویسندگان
چکیده
منابع مشابه
Nanomagnetic control of intersystem crossing.
A theory is presented for how magnetic nanostructures can catalyze intersystem crossing in molecular radical pairs. Magnetic field gradients near physically realistic nanostructures are strong enough to induce a relative reorientation of two electronic spins in <1 ns, overwhelming nuclear hyperfine coupling as a driver of intersystem crossing. Nanomagnetic control of intersystem crossing repres...
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We 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 3nu3 state. The results of this calculation support the interpretation of two l...
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The observed exponential phosphorescence decay of pyrazlne In cyclohexane or benzene matrix at 77K, with lifetime of 18 millisec, is found to change into a complex decay below 10'%:. At 1.6K, the decay is resolved Into three first-order decays of lifetimes 6, 130 and 400 millisec. These lifetimes are sensitive to changes in temperature and magnetic field strength (Hall, Armstrong, Moomaw and El...
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We present a simple model for analyzing the spin dynamics of a three-spin system representing a photoexcited chromophore coupled to a stable radical species. Perturbation theory yields a Fermi's Golden Rule-type rate expression that describes the formation of a local triplet on the chromophore through spin exchange with the radical. The error introduced by perturbation theory is evaluated for a...
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2017
ISSN: 2041-6520,2041-6539
DOI: 10.1039/c6sc05126j