نتایج جستجو برای: intramolecular chargeenergy transfer
تعداد نتایج: 301504 فیلتر نتایج به سال:
A systematic investigation of ethynyl N-heterocycle-substituted-λ3-iodanes (ENHIs) is presented. In a straightforward one-pot synthesis these novel reagents can be obtained in high yields bearing variety N-heterocycles. Their reactivity as electrophilic alkyne group transfer was benchmarked well-established and inter- intramolecular reactions.
The effect of the presence of compounds such as H2O, NH3, UDMH and NH2-NH2 has been reported on the inter-molecular proton transfer of 3-Nitro-1,2,4-triazole (NTO) using quantum computing. Gaussian 09 program package has been used to calculate geometry optimization and all reactions with 6-311++G(d,p) basis set. In these studies, the substances mentioned in the molecular reactions act as a cata...
Transfer of electrons between pyridine nucleotides (obligatory two-electron carriers) and hemes or [2Fe-2S] centers (obligatory one-electron carriers) is an essential step mediated by flavins in respiration, photosynthesis, and many oxygenase systems. Phthalate dioxygenase reductase (PDR), a soluble iron-sulfur flavoprotein from Pseudomonas cepacia, is a convenient model for the study of this t...
This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...
Photoinduced Intramolecular Charge Transfer in Donor-Acceptor Biaryls and Resulting Applicational Aspects Regarding Fluorescent Probes and Solar Energy Conversion This study is focused on the effects of photoinduced intramolecular charge transfer (CT) in three differently twisted donor-acceptor (D-A) biphenyls. Taking into account another pair of differently twisted D-A biaryls new universal in...
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