Charge transfer donor-acceptor sites, molecular

It has not yet been clarified whether the ring substituents interact directly with the binding site or affect the molecular characteristics of the DHP molecules in common. A recently used atomistic pseudoreceptor model for a series of DHP indicated a putative charge-transfer interaction was stabilizing the DHP-binding site complex [19]. To prove this hypothesis qualitative and quantitative analysis of the molecular orbitals of nine DHP derivatives (Fig. 9.11) was performed [18]. Charge-transfer (or electron-donor-acceptor) interactions are indicative of electronic... 

The metallic states in molecular crystals are realized first of all by the charge transfer (CT) between segregated donors and acceptors. The actual conduction can be along either donors or acceptors in the case of ETjX, e.g. on ET donors. In the presence of several inequivalent sites in a unit cell, some site(s) can have a different amount of carrier density from the other site(s), which is termed as CD, or CO. 

Fig. 16.8 Charge recombination lifetimes in the compounds shown in the inset in dioxane solvent. (J. M. Warman, M. P. de Haas, J. W. Verhoeven, and M. N. Paddon-Row, Adv. Chem. Phys. 106, Electron transfer—from isolated molecules to bio-molecules, Part I, edited by J. JortnerandM. Bixon (Wiley, New York, 1999). The technique used is time-resolved microwave conductivity (TRMC), in which the change in dielectric response of a solution is monitored following photoinduced electron transfer—a charge separation process that changes the solute molecular dipole. The lifetimes shown as a function of bridge length (number of a-bonds separating the donor and acceptor sites in the compounds shown in the inset) are for the back electron transfer (charge recombination) process.

Kobayashi, T. Reddy, P.S. Abe, M. Ohta, M. Fujii, N. Molecularly imprinted polysulfone membranes with acceptor sites for donor dibenzofuran as novel membrane adsorbents. Charge transfer interaction for recognition origin. Chem. Matter. 2002,18, 2866-2872. 

Unless noted otherwise we use the term electron transfer generally to denote both electron (ET) and hole (HT) transfer. The charge-localized initial and final states are denoted generically as DBA and D" BA to reflect the fact that in typical situations it is convenient to represent the donor/acceptor (D/A) interaction as being mediated by an intervening bridge (B) or spacer. For intramolecular ET, e.g., as in binuclear TMCs, the entire DBA assembly is a bonded molecular system. In cases of bimolecular ET between TMCs it may be useful to view the M ions as the local D and A sites, with the L in direct contact serving collectively as the B. ... 

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