硝基噻吩 的英文怎麼說
中文拼音 [xiāojīfēn]-
We have calculated one - and two - photon absorption cross sections of the lowest excited states of a series of molecules combined with benzene, stilben, thiophene as center attached with amine, diphenylamine, diethylamine as electron - donor and nitryl as electron - acceptor ; the effects of molecular length, n center and electron - donor on two - photon absorption cross sections have been studied and all calculations have been carried out using the density functional theory at an ab initio level. it is found that the molecular length and the one - photon absorption intensity are quite strongly c orrelated factors, and that a corresponding correlation for the two - photon absorption is decreasing. it is also found that a most crucial role for the two - photon absorption is played by the n center
我們分別以苯、二苯乙烯、噻吩為中心，氨基、二苯氨基和二乙氨基為電子給體，硝基為電子受體組合形成的分子為研究對象，在從頭計算的水平上用密度泛函理論計算了這些分子在低激發態下的單、雙光子吸收強度，重點研究了分子的長度、中心和給體的供電子能力對分子單、雙光子吸收的影響。研究結果表明，分子長度與單光子吸收強度之間有密切關系，而在雙光子吸收中這種關系較弱；中心在雙光子吸收中具有重要的作用；在中心和受體一定的情況下，增加給體的供電子能力，可提高雙光子吸收強度。
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