Cluster charge transfer

Table 5. Properties of adsorption complexes of methane with studied systems favored position, adsorption energy, methane-to-cluster charge transfer, activation barrier and stretching frequency of C-H bond.

Fig. 2.11. (a) Magnetic moment per atom versns cluster size for gas phase (squares) and adsorbed (circles), (b) Reduction of magnetic moment and surface to cluster charge transfer as determined from DFT calculations. Reproduced from [208]. Copyright 2003 American Physical Society... 

Spence T G, Trotter B T, Burns T D and Posey L A 1998 Metal-to-ligand charge transfer in the gas phase cluster limit J. Phys. Chem. A 102 6101... 

The structures of the black crystalline benzene solvate C6o-4C6H6, the black charge-transfer complex with bis(ethylenedithio)tetrathiafulvene, [C6o(BEDT-TTF)2], and the black ferrocene adduct [C6o Fe(Cp)2)2] (Fig. 8.7b) ) have also been solved and all feature the packing of Cso clusters. 

Figure 4-13. Evolution with the size of the sexithienyl cluster of the excitation energies from the ground stale to the lowest excited state (open circles), to the high-lying excited slate strongly coupled to the ground state (open squares), and to the lowest charge transfer-excited stale (open triangles). In all cases, only inlralayer interactions have been considered.

In its reduced state, the paramagnetic Rieske cluster shows a temperature-dependent MOD spectrum composed of numerous positive and negative C-terms that originate from the 8 = 1 ground state. The MOD spectra lack the Fe" 8 charge transfer bands that are observed as intense negative bands between 300 and 350 nm and a posi-... 

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