Correlation between the rate constants of S-T and T-S intersystem crossing in aza- and diazaphenanthrenes

Korshunov, L. I.; Shatrov, V. D.; Kuznetsov, V. S.; Rachek, V. F.; Mikhaǐlov, Yu. A.; Batekha, I. G.; El'tsov, A. V.

doi:10.1007/bf00608388

Cited by 2 publications

(3 citation statements)

References 7 publications

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“…The recent approaches of Nattermann, Scheidl, Korshunov, and Li 11,13 and also of Cha and Fertig 12 found the existence of the ordered phase and the absence of reentrance without using the replica formalism. Their results agree with the present theory at least in the limit of zero fugacity, for finite fugacity there are quantitative deviations.…”

Section: Discussionmentioning

confidence: 99%

“…We use the replica formalism mainly for two reasons: i) The calculation of correlations becomes very convenient: one may use an expansion technique (small fugacity and density of vortices) which fails [11][12][13] in the unreplicated system. ii) We show that in the present model there is no need for replica symmetry breaking, even at lowest temperatures.…”

Section: Introductionmentioning

confidence: 99%

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Glassy vortex state in a two-dimensional disordered XY model

Scheidl

1997

Phys. Rev. B

112

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The two-dimensional XY-model with random phase-shifts on bonds is studied. The analysis is based on a renormalization group for the replicated system. The model is shown to have an ordered phase with quasi long-range order. This ordered phase consists of a glass-like region at lower temperatures and of a non-glassy region at higher temperatures. The transition from the disordered phase into the ordered phase is not reentrant and is of a new universality class at zero temperature. In contrast to previous approaches the disorder strength is found to be renormalized to larger values. Several correlation functions are calculated for the ordered phase. They allow to identify not only the transition into the glassy phase but also an additional crossover line, where the disconnected vortex correlation changes its behavior on large scales non-analytically. The renormalization group approach yields the glassy features without a breaking of replica symmetry.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Glassy vortex state in a two-dimensional disordered XY model

Scheidl

1997

Phys. Rev. B

112

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“…According to Sapir and Vander Donckt, the intersystem crossing rates for H5 are intrinsically larger than those for planar phenanthrene. On the other hand, the introduction of a heteroatom such as nitrogen is well-known to significantly enhance intersystem crossing in coplanar molecules [e.g., in studies of (di-)aza-benzene-, -naphthalene-, and −phenanthrene derivatives − ); this arises from a very effective spin−orbit coupling between low-lying n −π* states (i.e., transitions involving an orbital containing the nitrogen lone pair) and π−π* states.…”

Section: Introductionmentioning

confidence: 99%

Intersystem Crossing Processes in Nonplanar Aromatic Heterocyclic Molecules

et al. 2007

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A comprehensive study of the photophysical properties of a series of monoaza[5]helicenes is presented on the basis of joint optical spectroscopy and quantum chemistry investigations. The molecules have been characterized by absorption and CW/time-resolved luminescence measurements. All quantities related to spin-orbit-coupling processes, such as intersystem crossing rates and radiative phosphorescence lifetimes, were found to depend strongly on the nitrogen position within the carbon backbone. Density functional theory and semiempirical quantum-chemical methods were used to evaluate the molecular geometries, the characteristics of the excited singlet and triplet states, and the spin-orbit coupling matrix elements. We demonstrate that the magnitude of spin-orbit coupling is directly correlated with the degree of deviation from planarity. The trends from the calculated photophysical quantities, namely, radiative fluorescence and phosphorescence decay rates and intersystem crossing rates, of the mono-aza-helicenes are fully consistent with experiment.

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Correlation between the rate constants of S-T and T-S intersystem crossing in aza- and diazaphenanthrenes

Cited by 2 publications

References 7 publications

Glassy vortex state in a two-dimensional disordered XY model

Glassy vortex state in a two-dimensional disordered XY model

Intersystem Crossing Processes in Nonplanar Aromatic Heterocyclic Molecules

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