Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Acta Armamentarii》 1989-02
Add to Favorite Get Latest Update

QUANTUM CHEMISTRY STUDIES ON THE MECHANISM OF HYDROLYSIS OF SOME DINITRAMINES

Wang Daxi Deng Senyuan Liu Jingjiang  
Calculations on dinitramines, O_2NHN-(CH)_n-NHNO_2n=1(Ⅰ), n=2(Ⅱ), n=3(Ⅲ), n=4(Ⅳ), were carried out applying methods of quantum chemistry studies. In the paper is studied the mechanism of hydrolysis reaction in acidic medium. Interaction between HOMO and LUMO for protonated dinitramines was investigated according to the frontier MO theory. The reaction path is calculated by constructing reaction coordinates. The results show that the reaction path proceeds according to Sn2. Protonated dinitramine is first formed in the acidic medium, then water as the nucleophilie agent, substitutes nitramine and protonated alcohol and nitramine are formed. In this reaction, the latter is the rate-determining-step of the reaction.It is found also that there is correlation between the superdeloalization of the hydrogen atom(■) and acidity of these compounds.
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Citations】
Chinese Journal Full-text Database 1 Hits
1 LIU JING-JIANG LI XIANG-DONG;THE DESCRIPTION OF THE BONDING SITUATION IN MO THEORY[J];Acta Chimica Sinica;1981-Z1
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 Xiao Heming Wang Daxi (Fast China Institute of Technology);QUANTUM CHEMICAL STUDIES ON THE NITRATE ESTERS ——TRINITROGLYCERIN AND MECHANISMS OF ITS THERMAL DECOMPOSITION[J];Acta Armamentarii;1992-01
2 ZHAO Yong sheng 1 PANG Zheng zhi 1 LI Shun lai 2 (1.College of Materials Science and Engineering; 2.College of Science, Beijing University of Chemical Technology, Beijing 100029, China);A quantum chemical study on imidazole and its derivatives as corrosion inhibitor of copper for hydrochloric acid pickling[J];Journal of Beijing University of Chemical Technology;2002-05
3 Peng Zhou-ren, Han Ying-jian, Tian Gen-lin and Wang Qiu-ying(Department of Chemistry, Lanzhou University);A QUANTUM CHEMICAL STUDY OF THE DISPROPORTIONATION REACTION OF TOLUENE TO BENZENE AND XYLENE[J];Chinese Journal of Catalysis;1985-04
4 Cui Rui-hai, Su Zhong-min and Zhao Cheng-da (Department of Chemistry, Northeast Normal University, Changchun);QUANTUM CHEMISTRY STUDY ON THE REACTION CATALYZED BY CHOLINESTERASE: DELOCALIZATION ENERGY,REACTION RATE AND MEDICINAL EFFECT OF ACETYLCHOLINE HOMOLOGUE IN HYDROLYSIS REACTION[J];Chinese Journal of Catalysis;1990-02
5 Yin Zhoulan Gao Xiaohui Dong Ping Wang Weiguo Zhou Meiling Zuo TieyongCentral-south University of Technology, Changsha, 410083;STUDY ON THE CHEMICAL REACTION OF OLEIC ACID WITH YBCO[J];Chinese Journal of Low Temperature Physics;1992-03
6 Yang Lixiang(Anhui Province Audio-Visutal Education Center,Hefei,Anhui 230061) Liu Lei(Department of Pbysics,Fudan University,Shanghai 200433);Effects of Atomic Orbital Hybridization on Molecular Electronic Structure and Shape Resonance[J];Journal of Fuyang Teachers College Natural Sciences;1994-02
7 Liu Chengyi (South China Normal University) Tang Aoqing(Ji Lin Unirersity);Intrinsically Theoretical Study on the Identification Molecule[J];Journal of Fuyang Teachers College Natural Sciences;1996-04
8 Cui Ruihai1 Zhao Chengda2 Wang Rongshun2(1 Harbin Teachers' College, Harbin,150080)(2 Northeast Normal University, Changchun,130024);Reaction Mechanism of HydroborationⅢ:Quantitative Perturbational Molecular Orbital Analysisof Ab Initio SCF-MO Wave Functions of the HCH+BH3[J];JOURNAL FO MOLECULAR SCIENCE;1998-02
9 Shi Jun-ying, He Shu-lin (Research Institute of Speciality Chemicals, East China University of Chemical Technology, Shanghai, 200237)Zheng Zhi-de, Wang Zai-lan, Wang Wen-feng (Institute of Nuclear Research, Academia Sinica, Shanghai);Mechanism of Inhibiting Light Fading of Magenta Azomethine Dye by the Antioxidants[J];Chemical Research In Chinese Universities;1991-02
10 Chen Bin, Zhao Cheng-da, Fu Qiang, Li Ying-wei (Department of Chemistry, Northeast Normal University, Changchun, 130024);The IRC Method in Chemical Reactions (Ⅷ)——Reaction Ergodography for the Pyrolysis of Methyl Azide[J];Chemical Research In Chinese Universities;1991-02
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved