Электронновозбужденные состояния 1,4-нафтохинона
Copyright policy )Электронновозбужденные состояния 1,4-нафтохинона
UV absorption spectra in nhexane and methanol of 1,4-Naphthoquinone are obtained. Based on the TDDFT B3LYP/6 311+G(d, p) calculations and taking into account the decomposition of the absorption curve into Gaussian, the UV absorption bands are assigned to particular transitions; and the electronic configurations are determine for each singlet and two low triplets.
Получен УФ спектр поглощения 1,4-нафтохинона в растворах гексана и метанола. На основе данных расчета электронного спектра методом TDDFT B3LYP/6 311+G(d, p) и разложения полос поглощения на гауссианы определены экспериментальные энергии электронных переходов и установлены спектроскопические состояния синглетов и низколежащих триплетов.
ВОЗБУЖДЕННЫЕ СОСТОЯНИЯ, 4-НАФТОХИНОН, УФ СПЕКТР ПОГЛОЩЕНИЯ, ЭЛЕКТРОННЫЕ ПЕРЕХОДЫ
ВОЗБУЖДЕННЫЕ СОСТОЯНИЯ, 4-НАФТОХИНОН, УФ СПЕКТР ПОГЛОЩЕНИЯ, ЭЛЕКТРОННЫЕ ПЕРЕХОДЫ
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