Hydrogen Bonding and Charge-Transfer Complexes

Spin Transfer through Hydrogen Bonding

A polarised-neutron diffraction experiment on [Co(NH3)5(H20)][Cr(CN)6] shows the unexpected features of spin populat ions on the cobalt ((0.5(2) e) and the "ammine" hydrogen (0.8(1) e in total) atoms. A local density approximation DV-Xa calculation on a unit that models the molecular geometry in the crystal returns features that are broadly in agreement with the experiment. The calculation also...

Determination of Trimethoprim Based on Charge-Transfer Complexes Formation

A spectrophotometric study concerning the interaction between Trimethoprim (TMP) ,Sulfamethoxazole (SFMx), as n-donor and 2,3-dichloro-5,6- dicyano-P-benzoquinine (DDQ) and chloranilic acid (CA) as π-acceptor were been performed at 25°C. The results of interaction of CA and DDQwith TMP indicate the formation of a 1:1, 1:2, charge transfer complexes through non equilibrium reactions. In the case...

Intermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamide.

In the present work the structural and spectral characteristics of acetazolamide have been studied by methods of infrared, Raman spectroscopy and quantum chemistry. Electrostatic potential surface, optimized geometry, harmonic vibrational frequencies, infrared intensities and activities of Raman scattering were calculated by density functional theory (DFT) employing B3LYP with complete relaxati...

Interaction between biimidazole complexes of ruthenium and acetate: hydrogen bonding and proton transfer.

The hydrogen bonding and deprotonation processes between four ruthenium biimidazole complexes, namely [Ru(bpy)(2)(BiimH(2))](PF(6))(2) (1, bpy is bipyridine, BiimH(2) is 2,2'-biimidazole), [Ru(bpy)(2)-(BbimH(2))](PF(6))(2) (2, BbimH(2) is 2,2'-bibenzimidazole), and [Ru(bpy)(2)(DMBbimH(2))](PF(6))(2) (3, DMBbimH(2) is 7,7'-dimethyl-2,2'-bibenzimidazole) and [Ru(bpy)(2)(TMBbimH(2))](2+) (4, TMBbi...

Structural aspects of interatomic charge-transfer bonding.