Effect of alkali metal cations interactions on the intramolecular proton transfers in [cytosine-X](+) adduct ions, X=H, Li, Na, K

Valadbeigi Younes

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Effect of alkali metal cations interactions on the intramolecular proton transfers in [cytosine-X](+) adduct ions, X=H, Li, Na, K

机译：碱金属阳离子相互作用对[胞嘧啶-X]（+）加合离子的分子内质子转移，X = H，Li，Na，K

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Interactions of H+, Li+, Na+, and K+ cations with five isomers of cytosine were studied employing B3LYP and MP2 methods using 6-311++ G(d,p) basis set. The cation-cytosine interactions affected the relative stability of the isomers, however, in the all complexes, the keto structure was the most stable isomer. Cation-cytosine interactions influenced the energy barriers of intramolecular proton transfers so that in some cases the cations catalyze the proton transfer and in others they increase the activation energies. The observed difference was attributed to the change in the acidity and basicities of the proton donor and acceptor sites and a linear correlation was obtained between acidity and activation energy.

机译：研究了使用6-311 ++ G（D，P）基础设定的B3LYP和MP2方法研究了H +，Li +，Na +和k +阳离子与五个异构体的阳离子。阳离子胞嘧啶相互作用影响异构体的相对稳定性，然而，在所有复合物中，酮结构是最稳定的异构体。阳离子 - 胞嘧啶相互作用影响了分子内质子转移的能量屏障，使阳离子催化质子转移，并在其他情况下增加活化能量。观察到的差异归因于质子供体和受体位点的酸度和碱性的变化，并且在酸度和活化能之间获得了线性相关性。

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《Main group chemistry》 |2018年第2期|共13页
作者
Valadbeigi Younes;
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作者单位

Islamic Azad Univ Sci &

Res Branch Dept Chem Tehran Iran;

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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
Cytosine; proton transfer; alkali metal cations; activation energy; acidity;

机译：胞嘧啶;质子转移;碱金属阳离子;活化能量;酸度;

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1. Effect of alkali metal cations interactions on the intramolecular proton transfers in [cytosine-X](+) adduct ions, X=H, Li, Na, K [J] . Valadbeigi Younes Main group chemistry . 2018,第2期

机译：碱金属阳离子相互作用对[胞嘧啶-X]（+）加合离子的分子内质子转移，X = H，Li，Na，K
2. A density functional theory study on the intramolecular proton transfer in 6-thioguanine and alkali metal cations substituted derivatives (M-TG, M = Li~+, Na~+, K~+) [J] . Jiao-Qiang Zhang, Chang-Ming Shi, Wen Wan, Computational & theoretical chemistry . 2012,第Null期

机译：关于6-硫鸟嘌呤和碱金属阳离子取代衍生物（M-TG，M = Li〜+，Na〜+，K〜+）的分子内质子转移的密度泛函理论研究
3. Intramolecular proton transfer induced by divalent alkali earth metal cation in the gas state [J] . Ai HQ., Bu YX., Li P. International Journal of Quantum Chemistry . 2003,第4期

机译：二价碱土金属阳离子在气态下引起的分子内质子转移
4. Chemoselective Synthesis of Novel Macrocyclic Polyether 60 Fullerene bis- and tris-Adducts by Tether-Directed Chemistry and Study of their Complexation Behavior with Alkali Metal Cations [C] . Zhiguo Zhou, David I. Schuster, Stephen R. Wilson International Symposium on Fullerenes, Nanotubes, and Carbon Nanoclusters, May 12-17, 2002, Philadelphia . 2002

机译：系链导向化学化学选择性合成新型大环聚醚60富勒烯双-和三-加合物及其与碱金属阳离子的络合行为研究
5. The design and investigation of bimetallic ruthenium complexes exhibiting proton-coupled intramolecular electron transfer. [D] . Slattery, Spencer James. 1993

机译：展示质子偶联分子内电子转移的双金属钌配合物的设计和研究。
6. Coordination Chemistry of Saturated Molecules Special Feature: Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes [O] . Andrew Toner, Jochen Matthes, Stephan Gründemann, 2007

机译：饱和分子的配位化学特殊功能：二氢邻位金属钌络合物的质子化作用中的声相互作用和分子内质子转移
7. Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes [O] . Toner, Andrew, Matthes, Jochen, Gründemann, Stephan, 2007

机译：二氢邻位金属钌配合物的质子化过程中的声相互作用和分子内质子转移
8. Homogeneous Reaction Involving Components of Different Redox Couples. 2. Polarographic Studies of the Interactions of Alkali Metal Cations with Anthracene and Fluoroanthene Dianions in N,N-dimethylformamide and Acetonitrile. [R] . Khoo, S. B., Pons, S., Janata, J., 1984

机译：涉及不同氧化还原对偶组分的均相反应。 2.碱金属阳离子与N，N-二甲基甲酰胺和乙腈中的蒽和氟芴二价阳离子相互作用的极谱研究。

Effect of alkali metal cations interactions on the intramolecular proton transfers in [cytosine-X](+) adduct ions, X=H, Li, Na, K

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