An ab initio study of some binary complexes containing methyl fluoride and difluoromethane: red-shifting and blue-shifting hydrogen bonds
作者： Ponnadurai Ramasami , Thomas A. Ford
DOI: 10.1080/00268976.2018.1445307
关键词:
摘要: The properties of a number hydrogen-bonded complexes methyl fluoride and difluoromethane with range hydrides the first two rows periodic table have been computed using ab initi...
harvard.edu
sci-hub.se 参考文章(74)
Joao BL Martins, José RS Politi, Edgardo Garcia, Alessandra FA Vilela, Ricardo Gargano, None, Theoretical Study of CH4−CH4, CHF3−CH4, CH4−H2O, and CHF3−H2O Dimers† The Journal of Physical Chemistry A. ,vol. 113, pp. 14818- 14823 ,(2009) , 10.1021/JP904962B
Pavel Hobza, Klaus Müller-Dethlefs, Non-Covalent Interactions: Theory and Experiment ,(2009)
Janet E. Del Bene, Ibon Alkorta, José Elguero, The Pnicogen Bond in Review: Structures, Binding Energies, Bonding Properties, and Spin-Spin Coupling Constants of Complexes Stabilized by Pnicogen Bonds Challenges and Advances in Computational Chemistry and Physics. pp. 191- 263 ,(2015) , 10.1007/978-3-319-14163-3_8
Richard M. Badger, The Relation Between the Energy of a Hydrogen Bond and the Frequencies of the O–H Bands The Journal of Chemical Physics. ,vol. 8, pp. 288- 289 ,(1940) , 10.1063/1.1750645
AnYong Li, Theoretical study of bifurcated bent blue-shifted hydrogen bonds CH 2 ···Y Science China-chemistry. ,vol. 51, pp. 623- 631 ,(2008) , 10.1007/S11426-008-0064-X
Elizabeth J. Goodwin, A. C. Legon, The rotational spectrum, geometry, and intermolecular force constant of the heterodimer of hydrogen cyanide and fluoroform The Journal of Chemical Physics. ,vol. 84, pp. 1988- 1995 ,(1986) , 10.1063/1.450406
Ibon Alkorta, Sergio Maluendes, Theoretical Study of CH.cntdot..cntdot..cntdot.O Hydrogen Bonds in H2O-CH3F, H2O-CH2F2, and H2O-CHF3 The Journal of Physical Chemistry. ,vol. 99, pp. 6457- 6460 ,(1995) , 10.1021/J100017A026
Alfred Karpfen, The interaction of fluorosilanes with hydrogen fluoride clusters: strongly blue-shifted hydrogen bonds Journal of Molecular Structure: THEOCHEM. ,vol. 710, pp. 85- 95 ,(2004) , 10.1016/J.THEOCHEM.2004.09.006
Stacey D. Wetmore, Robyn Schofield, David M. Smith, Leo Radom, A Theoretical Investigation of the Effects of Electronegative Substitution on the Strength of C−H···N Hydrogen Bonds Journal of Physical Chemistry A. ,vol. 105, pp. 8718- 8726 ,(2001) , 10.1021/JP011087T
Yong Yang, Weijun Zhang, Shixin Pei, Jie Shao, Wei Huang, Xiaoming Gao, Blue-shifted and red-shifted hydrogen bonds : Theoretical study of the CH3CHO... NH3 complexes Journal of Molecular Structure-theochem. ,vol. 732, pp. 33- 37 ,(2005) , 10.1016/J.THEOCHEM.2005.07.006