Halogen/π interaction and cooperativity effect between dihalogen molecules and unsaturated hydrocarbons: An ab initio study
暂无分享,去创建一个
[1] Hebi Bai,et al. Infrared matrix isolation investigation of the molecular complexes of chlorine monofluoride with benzene and its derivatives , 1990 .
[2] S. J. Grabowski,et al. Cooperativity halogen bonding effect – Ab initio calculations on H2CO⋯(ClF)n complexes , 2006 .
[3] B. Fraser-Reid,et al. .omega.-Alkenyl Glycosides Reacting with N-Bromosuccinimide: concerning the Transfer of Br+ from Cyclic Bromonium Ions to Olefins , 1994 .
[4] Lee Brammer,et al. Supramolecular chemistry of halogens: complementary features of inorganic (M-X) and organic (C-X') halogens applied to M-X...X'-C halogen bond formation. , 2005, Journal of the American Chemical Society.
[5] J. Zou,et al. Substituent effects on noncovalent halogen/π interactions: Theoretical study , 2007 .
[6] O. Takahashi,et al. Molecular orbital calculations of the substituent effect on intermolecular CH/π interaction in C2H3X-C6H6 complexes (X=H, F, Cl, Br, and OH) , 2003 .
[7] S. J. Grabowski. A new measure of hydrogen bonding strength – ab initio and atoms in molecules studies , 2001 .
[8] C. Chiappe,et al. Kinetic study of the addition of trihalides to unsaturated compounds in ionic liquids. Evidence of a remarkable solvent effect in the reaction of ICl2-. , 2004, The Journal of organic chemistry.
[9] D. Lenoir,et al. Influence of alkene structure on the stability of alkene–Br2 complexes: Effect of chlorine substitution , 2004 .
[10] R. S. Brown,et al. The question of reversible formation of bromonium ions during the course of electrophilic bromination of olefins. 2. The crystal and molecular structure of the bromonium ion of adamantylideneadamantane , 1984 .
[11] Jian-Wei Zou,et al. Theoretical investigations of the C X/π interactions between benzene and some model halocarbons , 2007 .
[12] Pierangelo Metrangolo,et al. Engineering functional materials by halogen bonding , 2007 .
[13] R. Bader. Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules , 2006 .
[14] J. B. Davey,et al. Rotational spectroscopy of the gas phase complex of water and bromine monochloride in the microwave region: Geometry, binding strength and charge transfer , 2001 .
[15] F. Garnier,et al. Complexes de transfert de charge évolutifs ou C.T.C.E., entre le chlore, le brome et une série d'oléfines , 1967 .
[16] R. Bader. Comment on the comparative use of the electron density and its Laplacian. , 2006, Chemistry.
[17] G. Bellucci,et al. Preassociation, Free-Ion, and Ion-Pair Pathways in the Electrophilic Bromination of Substituted cis- and trans-Stilbenes in Protic Solvents , 1997 .
[18] Alessandro Cecchi,et al. Competing kinetic pathways in the bromine addition to allylic ethers in 1,2-dichloroethane: Opposite temperature effects , 2007 .
[19] R. S. Mulliken. MOLECULAR COMPOUNDS AND THEIR SPECTRA. 3. THE INTERACTION OF ELECTRON DONORS AND ACCEPTORS , 1952 .
[20] D. Lenoir,et al. What is the nature of the first-formed intermediates in the electrophilic halogenation of alkenes, alkynes, and allenes? , 2003, Chemistry.
[21] J. Holloway,et al. Interaction of benzene and halogens in the gas-phase: rotational spectrum of C6H6···ClF , 1998 .
[22] M. W. Wong,et al. Saturated hydrocarbon-benzene complexes: theoretical study of cooperative CH/pi interactions. , 2006, The journal of physical chemistry. A.
[23] Ivan S. Neretin,et al. Charge-transfer character of halogen bonding: Molecular structures and electronic spectroscopy of carbon tetrabromide and bromoform complexes with organic σ- and π-donors , 2006 .
[24] A quantitative insight into the 'amphiphilicity' of covalently-bonded halogens from ab initio calculations , 2006 .
[25] P. Metrangolo,et al. Halogen bonding and pi...pi stacking control reactivity in the solid state. , 2004, Journal of the American Chemical Society.
[26] D. Lenoir,et al. cis-Bromination of alkynes without cationic intermediates. , 2005, Angewandte Chemie.
[27] R. Poirier,et al. New insights into the bromination reaction for a series of alkenes--a computational study. , 2007, The journal of physical chemistry. A.
[28] Chia-Chung Sun,et al. Study of π Halogen Bonds in Complexes C2H4-nFn−ClF (n = 0−2) , 2005 .
[29] M. Dewar. The Electronic Theory Of Organic Chemistry , 1949 .
[30] D. Lenoir,et al. Spectroscopic and Theoretical Investigations of Electrophilic Bromination Reactions of Alkynes: The First Evidence for π Complexes as Reaction Intermediates , 1999 .
[31] A. Kirschning,et al. Functionalized Polymers-Emerging Versatile Tools for Solution-Phase Chemistry and Automated Parallel Synthesis. , 2001, Angewandte Chemie.
[32] Pierangelo Metrangolo,et al. Halogen bonding based recognition processes: a world parallel to hydrogen bonding. , 2005, Accounts of chemical research.
[33] Peter Politzer,et al. Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors , 2007, Journal of molecular modeling.
[34] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .
[35] G. Bellucci,et al. DIFFERENT REVERSIBILITY OF BROMONIUM VS BETA-BROMOCARBONIUM IONS FORMED DURING THE ELECTROPHILIC BROMINATION OF SUBSTITUTED STILBENES - EVIDENCE FOR RATE DETERMINATION DURING THE PRODUCT-FORMING STEP , 1991 .
[36] Michael B Hursthouse,et al. Halogen bonding: a new interaction for liquid crystal formation. , 2004, Journal of the American Chemical Society.