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《Journal of Southwest University(Natural Science Edition)》 2009-01
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Theoretical Study on Dihydrogen Bonds and H-Bonds of B_3N_3H_6 with H_xCF_(4-x)(x=1-3)

LUO Hong-juan,LI An-Yong,XU Li-fang,NI Jie School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China  
The formation of dihydrogen bonds B—H…H—C and traditional H-bonds N—H…F between B3N3H6 and HxCF4-x(x=1-3) is theoretically studied,using the density functional theory,and it is found that upon the formation of the dihydrogen bonds the BH bonds are red-shifted and the CH bonds are blue-shifts and that the formation of the traditional H-bonds make the NH bonds red-shifted.An analysis of the topological properties of the complexes shows that these intermolecular interactions are indeed H-bonds. Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
【CateGory Index】: O621.1
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【References】
Chinese Journal Full-text Database 1 Hits
1 NI Jie;LI An-yong;College of Environmental Science and Engineering,Southwest Forest University;College of Chemistry and Chemical,Southwest University;;On Blue Shifting H-Bonds in Dimmers and Tripolymers of HCHO and HNO[J];西南师范大学学报(自然科学版);2013-11
【Citations】
Chinese Journal Full-text Database 4 Hits
1 YAN Xiu-hua,LI An-yong,WANG Su-wen,MIAO Shu-qingSchool of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China;Theoretical Study of the PH_2…Y Bifurcated Blue-Shifting Hydrogen Bond[J];西南大学学报(自然科学版);2008-03
2 LI,An-Yong YAN,Xiu-Hua WANG,Su-Wen (School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715);Theoretical Study of the CH_3…Y Trifurcated Blue-Shifted Hydrogen Bonds[J];化学学报;2007-24
3 WANG Hai-Yan1,2 ZENG Yan-Li1 ZHENG Shi-Jun1 MENG Ling-Peng1,(1Institute of Computational Quantum Chemistry,College of Chemical and Material Sciences,Hebei Normal University,Shijiazhuang 050016,P.R.China;2Department of Natural Drug,New Drug Research & Development Company,North China Pharmaceutial Company,Shijiazhuang 050015,P.R.China);Dihydrogen Bond between Pyrrole and a Series of Small Molecules[J];物理化学学报;2007-07
4 WANG Su-wen, LI An-yong School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715,China;Theoretical Study of the Red-Shifting and Blue-Shifting Hydrogen Bonding Between Pyridine and CHX_3 (X=F,Cl,Br or Ⅰ)[J];西南大学学报(自然科学版);2007-05
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 NI Jie;LI An-yong;College of Environmental Science and Engineering,Southwest Forest University;College of Chemistry and Chemical,Southwest University;;On Blue Shifting H-Bonds in Dimmers and Tripolymers of HCHO and HNO[J];西南师范大学学报(自然科学版);2013-11
2 WANG Yi-wei, CAI Yan-seng, SONG Hua, DU Jun, GUO Jian-min Department of Basic Medical Sciences, Luzhou Medical College, Luzhou 646000, P.R.China;Density function theory study on the interaction between camptothecin and cytosine[J];Journal of Chongqing University(English Edition);2013-02
3 CHEN Ziran,HE Zhanrong,ZHANG Yuhong(Department of Architecture and Environmental Engineering,Sichuan Vocational and Technical College,Suining 629000,Sichuan);Theoretical Study on the C_6H_5O─H…X Hydrogen-bonded Complexes[J];四川师范大学学报(自然科学版);2013-03
4 ZHENG Yan,CAI Wan-Fei,LI Lai-Cai (College of Chemistry and Material Science,Sichuan Normal University,Chengdu 610066,China);Theory study on hydrogen bonding interaction between luteolin and adenine[J];原子与分子物理学报;2013-01
5 WANG Shu-Jian LI Ying WU Di (State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry, Jilin University,Changchun 130023,P.R.China);Properties and Weak Directionality of the π-Lithium Bond in C_2H_(4-n)F_n…LiH (n=0, 1, 2) Dimers[J];物理化学学报;2012-12
6 GAO Yuan*,1 ZHANG Lin2 ZHANG De-Lin3 WANG Yong3 YAO Ai-Qin3(1Department of Electrionic and Computer Science and Technology,North University of China,Taiyuan 030051,China)(2College of Science,North University of China,Taiyuan 030051,China)(3College of Chemical Engineering and Environment,North University of China,Taiyuan 030051,China);Theoretical Study on the Structures and Properties of NCBBH…HNa(H_2O)_n and CNBBH…HNa(H_2O)_n(n=1~5)[J];无机化学学报;2012-04
7 ZHANG Ying,LI An-yong,CAO Li-juan School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China;Theoretical Study of Halogen Bonds Between H_2O or H_2S and Dihalogen Molecules[J];西南大学学报(自然科学版);2012-03
8 CHEN Zi-ran1,TAO Guo1,XIE Bing-yun2 1.Department of Architecture and Environmental Engineering,Sichuan Vocational and Technical College,Suining Sichuan 629000,China;2.College of Chemistry and Material Science,Sichuan Normal University,Chengdu 610066,China;Theoretical Study on the Hydrogen Bonding Interaction of C_2H_5N_4~+-C_6H_3N_3O_7~-[J];西南大学学报(自然科学版);2012-01
9 CHEN Zi-Ran,XU You-Hui,TAO Guo,HE Zhan-Rong (Department of Architecture and Environmental Engineering,Sichuan Vocational and Technical College,Suining,Sichuan 629000,China);Theoretical study on intermolecular hydrogen bond of C_6H_5 COOH…X[J];原子与分子物理学报;2011-06
10 Xiang,Zhenga Wu,Xiua Zheng,Yana Cai,Wanfeia Li,Laicai,a Tian,Anminb(a College of Chemistry and Material Science,Sichuan Normal University,Chengdu 610066)(b College of Chemistry,Sichuan University,Chengdu 610064);Theory Study on Hydrogen Bonding Interaction between Luteolin and Cytosine[J];化学学报;2011-17
【Co-references】
Chinese Journal Full-text Database 6 Hits
1 LUO Hong-juan,LI An-Yong,XU Li-fang,NI Jie School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China;Theoretical Study on Dihydrogen Bonds and H-Bonds of B_3N_3H_6 with H_xCF_(4-x)(x=1-3)[J];西南大学学报(自然科学版);2009-01
2 NI Jie,LI An-Yong,YAN Xiu-hua School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China;Theoretical Study on Blue-Shifted H-Bonds of HNO(HNS) with (HF)_(1≤n≤3)[J];西南大学学报(自然科学版);2009-01
3 NAN Guang-ming, CHEN Xin 1.Chemistry Department of Yili Normal College,Yili Xinjiang 835000,China;2.Department of Chemistry and Life Sciences,West Anhui University,Liuan Anhui 237000,China;Theoretical Study on the Effect of the Choice of Calculation Methods on UV Spectra of 8-thioquinoline[J];西南师范大学学报(自然科学版);2008-02
4 LI,An-Yong YAN,Xiu-Hua WANG,Su-Wen (School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715);Theoretical Study of the CH_3…Y Trifurcated Blue-Shifted Hydrogen Bonds[J];化学学报;2007-24
5 XIE Bing, SHEN Wei, HU Wu-hong(Dept.of Chemistry, Fuling Normal College, Chongqing 408003, China);Theoretical Study of Reaction Between HONO and HCl[J];重庆师范大学学报(自然科学版);2005-03
6 QIAN Yi-ming,LI Lai-cai (College of Chemistry, Sichuan Normal University, Chengdu 610066, Sichuan);Theoretical Study on the Mechanism of the Reaction of NO with OH[J];四川师范大学学报(自然科学版);2004-04
【Secondary Citations】
Chinese Journal Full-text Database 4 Hits
1 WANG Su-wen, LI An-yong School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715,China;Theoretical Study of the Red-Shifting and Blue-Shifting Hydrogen Bonding Between Pyridine and CHX_3 (X=F,Cl,Br or Ⅰ)[J];西南大学学报(自然科学版);2007-05
2 LI Dao-hua(Dean's and Scientific Research Office, Xichang College, Xichang 615022, Sichuan);Study on the Hydrogen Bond Structure of Pyridazine-water Complex[J];四川师范大学学报(自然科学版);2004-06
3 SHI, Fu-Qiang AN, Jing-Yi LI, Wen ZHAO, Sui YU, Jia-Yong (Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences, Beijing 100101);Theoretical Study of the Hydrogen Bonding between Pyrrole and HCl, CHCl_3[J];化学学报;2004-12
4 LI Xin(College of Chemistry and Environmental Science,Wuhan University, Wuhan 430072);Studies on Thermolytic Mechanism of Glutamic acid[J];西南师范大学学报(自然科学版);1999-04
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