SUBSTITUENT

作品数：123被引量：152H指数：5
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相关作者：曹晨忠史小琴堵锡华庄文昌冯长君更多>>
相关机构：湖南科技大学徐州工程学院南京工程学院南京理工大学更多>>
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相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家高技术研究发展计划更多>>
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Theoretical Insights into the Substituent Effects on the Fluorescence of Boron Complexes of 2-(Benzothiazol-2-yl)phenols: a Quantum Mechanics Study
《Chinese Journal of Structural Chemistry》2020年第2期243-254,184,共13页LI Hui-Xue WANG Xiao-Feng ZHU Yuan-Cheng YUAN Kun LV Ling-Ling LI Zhi-Feng 
supported by the Natural Science Foundation of China(No.21463023);the Project of the Beijing National Laboratory for Molecular Sciences(BNLMS20160155);the Research Funding of Gansu Provincial Department of Education(2016B-072);the Key Project of Tianshui Normal University(TSA1501)。
The performance of organic fluorescent materials can be improved by chemical substitutions with auxochrome groups such as amino to increase solubility, alter emitting color, or modify film quality. The complex 6,6-dif...
关键词：THEORETICAL STUDY FLUORESCENCE spectrum BOBTPs SUBSTITUENT effects 
Theoretical Studies on the Aminolysis of Ester: Effects of the Catalysis and Substituent to the Reaction of Methyl Indole-3-acetate with Ammonia被引量：1
《Chinese Journal of Structural Chemistry》2019年第6期855-866,共12页ZHANG Liang CHEN Rong LIANG Guo-Ming 
supported by the Special Funds of the National Natural Science Foundation of China(No.11347161)
A comprehensive exploration of the aminolysis mechanism for methyl indole-3-acetate with ammonia is carried out by employing the B3 LYP/6-311++G(d,p), M06-2 X/6-311++G(d,p) and MP2/6-311++G(d,p)//M06-2 X/6-311++G(d,p)...
关键词：AMINOLYSIS METHYL indole-3-acetate mechanism catalytic EFFECT SUBSTITUENT EFFECT 
Effect of Substituent Groups on the Syntheses of Two Ag Coordination Polymers Based on Tetrazole-yl Acylamide被引量：1
《Chinese Journal of Structural Chemistry》2015年第11期1729-1734,共6页陈二霞 刘娟 王飞 张健 
Supported by NNSFC(91222105,21221001)
Two novel Ag coordination polymers based on tetrazole-yl acylamide, Ag（NTAA） （1, H-NTAA = N-（1H-tetrazol-5-yl）acetamide） and Ag（NTPA） （2, H-NTPA = N-（1H-tetrazol- 5-yl）propionamide） have been synthesized u...
关键词：coordination polymers silver crystal structure TOPOLOGY electron donating 
Study on the Intramolecular Hydrogen Bonds of Dibenzofurans, Xanthones and Anthraquinones with One or Two Positions Substituted by Hydroxyls
《Chinese Journal of Structural Chemistry》2013年第2期185-192,共8页仇静 石佳奇 陈国松 
The thermodynamic properties of dibenzofurans （DFs）, xanthones （XTs） and an-thraquinones （AQs） with one and two positions substituted with hydroxyls in the ideal gas state at 298.15 K and 1.013×10^5 pa were cal...
关键词：DIBENZOFURAN xanthones and anthraquinones hydroxyl substituent intramolecular hydrogen bond density functional theory electronic density topology analysis 
Template Syntheses and Crystal Structures of Hexaaza Macrocyclic Complexes with C-Methyl Substituents
《Chinese Journal of Structural Chemistry》2005年第11期1259-1263,共5页ZHANG Bing KOU Hui-Zhong CUI Ai-Li WANG Ru-Ji 
Supported by the National Natural Science Foundation of China (20201008)
Two new macrocyclic complexes with C-methyl substituents on the framework, namely, [CuL]（ClO4）2 （L = 5,12-dimethyl-1,8-dihydroxyethyl-1,3,6,8,10,13-hexaazacyclotetradecane） 1 and [NiL]（ClO4）2 2, have been synthe...
关键词：synthesis crystal structure MACROCYCLE C-methyl substituent COPPER nickel synthesis crystal structure MACROCYCLE C-methyl substituent COPPER NICKEL 
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