Ion pair charge-transfer salts based on protonated bipyridines and [W(CN)6(bpy)]2- anion-structure and properties

Ff-IR absorption spectroscopy of BEDT-TfF radical salts: charge transfer and donor-anion interaction

IR absorption spectra from various K-phases of BEDT·TfF radical cation salts as well as from a-(BEDT·TIFhI, arc presented. From tbese spectra one special mode l'n representing the asymmetric ring C-C stretching vibration is assigned and the dependence of its frequency from the average charge on the donor molecule is given. The investigation of the metal-insulator phase transition of a-(BEDT·TrF...

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...

Force fields for divalent cations based on single-ion and ion-pair properties.

We develop force field parameters for the divalent cations Mg(2+), Ca(2+), Sr(2+), and Ba(2+) for molecular dynamics simulations with the simple point charge-extended (SPC/E) water model. We follow an approach introduced recently for the optimization of monovalent ions, based on the simultaneous optimization of single-ion and ion-pair properties. We consider the solvation free energy of the div...

Spectrophotometric Determination of Trimebutine Through Ion- Pair and Charge- Transfer Complexation Reactions

Surface characterization and surface electronic structure of organic quasi-one- dimensional charge transfer salts