Dipole Moments of Some Hydrogen-Bonded Complexes

1966 ◽  
Vol 70 (2) ◽  
pp. 588-591 ◽  
Author(s):  
Charles F. Jumper ◽  
Bentz B. Howard
Keyword(s):  
Dipole Moments ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals Studies of Hydrogen Bonding. Part XXXVI. Dipole Moments of Pyridines, Quinolines and Acridine, and of their Hydrogen-Bonded Complexes with Phenol.

1993 ◽  
Vol 47 ◽  
pp. 985-989 ◽  
Author(s):  
Thor Gramstad ◽  
Arne Haaland ◽  
Kjell-Gunnar Martinsen ◽  
Jürgen Vogt ◽  
Ingmar Grenthe ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moments ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Studies of Hydrogen Bonding. Part XXXIII. Dipole Moments of Phosphoryl Compounds and their Hydrogen-Bonded Complexes with Phenol.

1992 ◽  
Vol 46 ◽  
pp. 1087-1091 ◽  
Author(s):  
Thor Gramstad ◽  
Synnøve Liaaen-Jensen ◽  
Sergey V. Meshkov ◽  
Harri Lönnberg ◽  
Martti Dahlqvist ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moments ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals Studies of Hydrogen Bonding. Part XXXIV. Dipole Moments of Carbonyl Compounds and of their Hydrogen-Bonded Complexes with Phenol.

1993 ◽  
Vol 47 ◽  
pp. 68-71 ◽  
Author(s):  
Thor Gramstad ◽  
Stephen L. Buchwald ◽  
John F. Richardson ◽  
Anders Hallberg ◽  
Jörgen Alvhäll ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Carbonyl Compounds ◽  
Dipole Moments ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Bonding topology, hydrogen bond strength, and vibrational chemical shifts on hetero-ring hydrogen-bonded complexes — Theoretical insights revisited

2012 ◽  
Vol 90 (4) ◽  
pp. 368-375 ◽  
Author(s):  
Boaz G. Oliveira ◽  
Regiane C. M. U. Araújo
Keyword(s):  
Hydrogen Bond ◽  
Bond Strength ◽  
Chemical Shifts ◽  
Dipole Moments ◽  
Interaction Strength ◽  
Hydrogen Bond Strength ◽  
Electronic Densities ◽  
Bonded Complexes ◽  
Hydrogen Bonded

This work presents a theoretical study about the interaction strength of the hydrogen-bonded complexes C2H4O···HF, C3H6O···HF, C2H4O···HCF3, and C3H6O···HCF3 at the B3LYP/6–311++G(d,p) level. The structures, hydrogen bond energies, charge transfers, and dipole moments of these complexes were analyzed in accordance with routine spectroscopy events, such as the red- and blue-shifts on the stretch frequencies of the proton donors (HF and HCF3). The ChelpG atomic charges were used to quantify the charge-transfer fluxes from electron donor (O) towards to acceptors (HF or HCF3). Moreover, the topological calculations on the basis of the quantum theory of atoms in molecules (QTAIM) approach were also used to unveil the hydrogen bond strength (O···H), mainly in the determination of their electronic densities and Laplacian shapes.

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