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盐对甲基黄热异构化的催化作用。

Catalysis of Thermal Isomerization of Methyl Yellow by Salts.

作者信息

Yano Atsuko, Sato Yoshie, Dachimba Kyohei, Yano Ryuzi

机构信息

Muroran Institute of Technology, 27-1 Mizumoto-cho, Muroran, Hokkaido 050-8585, Japan.

出版信息

ACS Omega. 2020 Apr 6;5(14):7956-7961. doi: 10.1021/acsomega.9b04342. eCollection 2020 Apr 14.

DOI:10.1021/acsomega.9b04342
PMID:32309705
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7161051/
Abstract

Cu ions are reported to catalyze the thermal isomerization (TI) of -azobenzene. It was found that some alkali halides (NaCl, KCl, NaBr, and KBr) also catalyze the TI of 4-dimethylamino-azobenzene in ethanol. These tendencies were attributed to the interaction between the azo group and the cation based on experimental data and density functional theory (DFT) calculations. Some Na salts (CHCOONa, NaHPO, and NaSO) were found to inhibit the TI of 4-dimethylamino-azobenzene in ethanol. It is inferred that the weak acid ions in these salts decrease the concentration of H ions that catalyze the TI process.

摘要

据报道,铜离子可催化对偶氮苯的热异构化(TI)。研究发现,一些碱金属卤化物(氯化钠、氯化钾、溴化钠和溴化钾)也能在乙醇中催化4-二甲基氨基偶氮苯的热异构化。基于实验数据和密度泛函理论(DFT)计算,这些趋势归因于偶氮基团与阳离子之间的相互作用。发现一些钠盐(醋酸钠、磷酸氢二钠和硫酸钠)可抑制乙醇中4-二甲基氨基偶氮苯的热异构化。据推测,这些盐中的弱酸离子降低了催化热异构化过程的氢离子浓度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/601ff403cd8c/ao9b04342_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/0fb2ae8bce90/ao9b04342_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/44f520225873/ao9b04342_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/8065b7c768ab/ao9b04342_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/557fc8c8577e/ao9b04342_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/034eff6a09da/ao9b04342_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/55fc0decde42/ao9b04342_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/601ff403cd8c/ao9b04342_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/0fb2ae8bce90/ao9b04342_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/44f520225873/ao9b04342_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/8065b7c768ab/ao9b04342_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/557fc8c8577e/ao9b04342_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/034eff6a09da/ao9b04342_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/55fc0decde42/ao9b04342_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b47d/7161051/601ff403cd8c/ao9b04342_0007.jpg

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pH-Dependent cis --> trans isomerization rates for azobenzene dyes in aqueous solution.水溶液中偶氮苯染料的 pH 依赖顺式-反式异构化速率。
J Phys Chem A. 2009 Nov 26;113(47):13144-51. doi: 10.1021/jp903102u.
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The performance of hybrid DFT for mechanisms involving transition metal complexes in enzymes.杂化密度泛函理论在涉及酶中过渡金属配合物的反应机理方面的性能。
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Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.采用C-PCM溶剂化模型计算溶液中分子的能量、结构和电子性质。
J Comput Chem. 2003 Apr 30;24(6):669-81. doi: 10.1002/jcc.10189.
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