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Your search keyword '"Spin coupling -- Measurement"' showing total 2 results
Start Over Descriptor "Spin coupling -- Measurement" Topic spin coupling -- research
2 results on '"Spin coupling -- Measurement"'

1. Regulation mechanism of spin-orbit coupling in charge-transfer-induced luminescence of imidazopyrazinone derivatives

Author

Isobe, Hiroshi, Yamanaka, Syusuke, Kuramitsu, Seiki, and Yamaguchi, Kizashi

Subjects
Pyrazinamide -- Research, Pyrazinamide -- Chemical properties, Coordination compounds -- Research, Coordination compounds -- Chemical properties, Spin coupling -- Measurement, Spin coupling -- Research, Chemistry
Abstract

The spin transition in the reactions of the derivatives of imidazo[1,2-a]pyrazin-3(7H)-one with a triplet molecular oxygen is examined by the geometry optimization and the electronic matrix elements for spin-orbit coupling (SOC) is evaluated by using the full Pauli-Breit SOC operator. An optimal state is present for the suppression of SOC in the charge-transfer-induced luminescence (CTIL) for the peroxide, which is related with the ability of a substituent to donate an electron.

Published
2008

2. Spin-density distribution of the carotenoid triplet state in the peridinin-chlorophyll-protein antenna. A Q-band pulse electron-nuclear double resonance and density functional theory study

Author

Niklas, Jens, Schulte, Tim, Prakash, Shipra, van Gastel, Maurice, Hofmann, Eckhard, and Lubitz, Wolfgang

Subjects
Carotenoids -- Research, Carotenoids -- Chemical properties, Spin coupling -- Measurement, Spin coupling -- Research, Chemistry
Abstract

The [super 1]H hyperfine coupling constant (hfc) tensors and the spin density distribution of the excited triplet state of the carotenoid peridinin in the refolded peridinin-chlorophyll-protein (RFPCP) antenna are described. The studies are used for elucidating the electronic structure of other short-lived carotenoid triplet states.

Published
2007

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