Excited States of Biomolfecules—iii

Song, Pill‐Soon; Fugate, Robert D.

doi:10.1111/j.1751-1097.1975.tb06750.x

Cited by 4 publications

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References 108 publications

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“…The S1(n, n*) state of coumarin and psoralen possesses significant CT character in the C=C bond of the pyrone moiety (32% CT to the C=C vacant M O in coumarin and 22% in psoralen), according to the configuration analysis of the M O wavefunctions [130]. On the other hand, the TI (n, z*) state of these molecules shows a substantial localization of the excitation in the pyrone C==C bond, thus providing a logical basis for the structure-activity correlation of skin-sensitizing coumarins.…”

Section: Cournurinsmentioning

confidence: 99%

Excited States of Biomolecules—iv

Fugate

Song

1976

Photochem & Photobiology

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The electronic excited states of biomolecules are selectively reviewed from approximately mid 1975 through mid 1976. The inclusion of all papers has not been attempted and exclusion does not necessarily reflect the pertinence of a paper. We urge authors to send us their reprints for future series of this Yearly Review. Porphyrins and chlorophyllsThe CND0/2 calculations have been performed for chlorophyll a (chl a), chlorophyll b (chl b) and their Be analogs [65]. Results indicate that the 3d atomic orbitals of the metal contribute significantly to the CJ and n bonding energies. The molecule is stabilized by 167 kJ . mol-' (40 kcal mol-I) when MgZf is replaced by Be2+. Shipman et al. [ 12 11 have discussed

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Section: Cournurinsmentioning

confidence: 99%

Excited States of Biomolecules—iv

Fugate

Song

1976

Photochem & Photobiology

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Excited states of photobiological receptors. II. Chlorophylls, phytochrome, and stentorin

Song

Chin

Yamazaki

et al. 2009

Int. J. Quantum Chem.

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In this series on the application of configuration analysis (CA) to the electronic excited states of photobiological receptors, we have extended CA to two important photobiological receptors, phytochrome of photomorphogenic and biological clock systems and stentorin of the photophobic response system of stentors. In addition, the effect of substituents in chlorophylls on the electronic excitation of the chlorin and bacteriochlorin ring systems has been examined. The open-shell calculations of chlorophylls have also been performed.In the singlet excited state of phytochrome, there is a significant charge transfer from ring A to the violin moiety of the phytochrome molecule, with a tendency for the localized excitation in the A ring. The charge transfer contribution to the singlet-singlet excitation is also significant. These results are correlated with the photomorphogenic transformation of phytochrome which involves deprotonation and/or tautomerism of the ring A in the excited state. In the case of stentorin, the excitation resides largely in the aromatic system, with some charge transfer to the carbonyl groups. The photobiological significance of these results are discussed.

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Fluorometric and phosphorometric analysis

O'Donnell¹,

Solie²

1978

Anal. Chem.

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Excited States of Biomolfecules—iii

Cited by 4 publications

References 108 publications

Excited States of Biomolecules—iv

Excited States of Biomolecules—iv

Excited states of photobiological receptors. II. Chlorophylls, phytochrome, and stentorin

Fluorometric and phosphorometric analysis

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