Localizability of ?-electronic transitions in spectra of trans-chalcone and their classification

Sukhorukov, Andrey A.; Umanskii, V. É.; Zadorozhnyi, B. A.; Lavrushin, V. F.

doi:10.1007/bf00525179

Cited by 3 publications

(5 citation statements)

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“…If the transition O + Z has predominantly local character, the electronic structure of the excited molecular part will be changed considerably, whereas the rest of the molecule remains almost in its ground state electronic structure. In this case the value of the ratio is high and reflects directly the local character of the transition as to the fragment R. A similar relationship has been proposed previously [7] by using the absolute value metrics It has been shown [8] that a relation exists between the difference of the…”

Section: B Fpmm and Susl Analysismentioning

confidence: 60%

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Approaches for interpreting π electronic states and π electronic transitions

Fabian

Mehlhorn

Fratev

1980

Int J of Quantum Chemistry

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AbstractsScope and limitations of different approaches which enable r electronic systems of topologically equivalent structures to be compared have been examined. Particular attention has been paid to analyses in terms of molecular subsystems.Les possibilites et les limites d'application des approches differents furent examinees, permettant de comparer des structures a-electroniques, qui sont topologiqument Cquivalentes. Une attention particuliere a etC donne aux analyses suivant les substructures molCculaires.Es werden die Anwendungsmoglichkeiten und Anwendungsgrenzen verschiedener Methoden untersucht, die erlauben, 7r-Electronensysteme topologisch-aquivalenter Strukturen zu vergleichen. Besondere Aufmerksamkeit wurde dabei Analysen nach molekularen Substrukturen gewidmet.

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Section: B Fpmm and Susl Analysismentioning

confidence: 60%

“…(b) The change of certain density matrix elements upon excitation is examined as described by Sukhorukov, Umanskii, Sadorozhnii, and Lavrushin [7] (hereafter SUSL analysis).…”

Section: Analysis Of Electronic Transitionsmentioning

confidence: 99%

Approaches for interpreting π electronic states and π electronic transitions

Fabian

Mehlhorn

Fratev

1980

Int J of Quantum Chemistry

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“…The theoretical analysis by the method of Sukhorukov et al [12] shows that the 1-phenyl ring takes almost no part in the electron excitation So -Si, i.e., when considering the longest wave length absorption band, we can neglect this phenyl ring. The remainder of the molecule has two groups between which charge transfer could take place.…”

Section: Effect Of Substituentsmentioning

confidence: 99%

Fluorescence and Absorption Spectra of Phenylazopyrazolone Dyes

Nikolov

Fratev

Stoyanov

et al. 1981

Zeitschrift Für Naturforschung A

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The absorption and fluorescence spectra of some arylazopyrazolone dyes have been investigated. The emission is assigned to their hydrazone form. A very good linear correlation is obtained between the σ Hammett constants and the differences of the absorption maxima of the hydrazone form and the anion. Quantum chemical calculations indicate to a charge migration upon excitation. The electron donor substituents cause bathochromic and hypsochromic shifts in the absorption and in the fluorescence maxima resp., while the acceptor substituents shift bathochromically both maxima. All compounds studied except the p-N(CH3)2 derivative show an anomalously large Stokes shift in nonpolar solvents.

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“…It also follows from (2) that (6) for any O (6) and (7), we obtain (8) We shall denote the quantity s(dlY.Q) simply by so and shall call it a measure of the partial similarity between Q k and Q/ determined with respect to a selected subset Co of C. Thus the total similarity s between the objects Qk and Q/ determined with respect to the whole set of characteristics C is always less than or equal to the smallest of the partial similarities so, i.e.…”

Section: Complementary To the Notion Of Distance Is The Idea Of Similmentioning

confidence: 99%

“…Sukhorukov et al [8] have recently shown that the localisation of a 1T1T* transition (0 + J) upon a given fragment M j EM can be expressed by /l,V all (15) where 0 and Jrepresent the singlet states So and SJ, respectively. This empirical index correlates well with an index derived theoretically by Lusanov et al [9].…”

Section: Estimation Of the Localisation Of The Electronic Excitation mentioning

confidence: 99%