Theoretical determination of molecular structure and conformation. 20. Reevaluation of the strain energies of cyclopropane and cyclobutane carbon-carbon and carbon-hydrogen bond energies, 1,3 interactions, and .sigma.-aromaticity

1986 ◽  
Vol 108 (24) ◽  
pp. 7467-7477 ◽  
Author(s):  
Dieter. Cremer ◽  
Juergen. Gauss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Bond Energies ◽  
Theoretical Determination ◽  
Hydrogen Bond Energies

The hydrogen bond energies of the bihalide ions XHX− and YHX−

1985 ◽  
Vol 63 (7) ◽  
pp. 1399-1406 ◽  
Author(s):  
G. Caldwell ◽  
P. Kebarle
Keyword(s):  
Hydrogen Bond ◽  
Gas Phase ◽  
Free Energies ◽  
Bond Energies ◽  
Solvation Energies ◽  
Complete Set ◽  
Lattice Energies ◽  
Gas Phase Ion ◽  
Hydrogen Bond Energies

Experimental measurements of the gas phase ion equilibria X− + HX = XHX−, X−(HX)n−1 + HX = X−(HX)n, and X− + HY = XHY where X, Y = Cl, Br, I, with a high pressure mass spectrometer, combined with the recent determination of F− + HF = FHF− by Larson and McMahon, provide a very complete set of hydrogen bond dissociation enthalpies and free energies for the hydrogen bihalide ions. The bond energy trends in the different XHX− and XHY− are discussed. The data can be used also for the evaluation of lattice energies of salts containing the bihalide ions and for determinations of the solvation energies of these ions.

scholarly journals Studies of the the Hydrogen Bond. IV. Theoretical Determination of Electronic Polarization Energies.

1958 ◽  
Vol 12 ◽  
pp. 584-585 ◽  
Author(s):  
Inga Fischer-Hjalmars ◽  
Ragnar Grahn ◽  
Klaus Mosbach ◽  
Per Fritzson ◽  
B. Zaar ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Electronic Polarization ◽  
Theoretical Determination
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