Coupled clusters

R. Nakamura and H. Frei, Visible fight-driven water oxidation by Ir oxide clusters coupled to single Cr centers in mesoporous silica, J. Am. Chem. Soc., 128, 10668-10669 (2006). 

The proteins involved in the reduction of nitrogen to ammonia and other accessible forms contain several such clusters coupled with molybdenum centres. The structure of the central iron-molybdenum cluster at the centre of nitrogenase is shown in Fig. 10-9. Even with the detailed knowledge of this reaction site, the mode of action of nitrogenase is not understood. 

M. Nooijen, J.G. Snijders, Int. J. Quantum Chem. 48 (1993) 15. For ionization potentials, equation-of-motion coupled-cluster, coupled-cluster linear response theory,... 

Dynamics. Cluster dynamics constitutes a rich held, which focused on nuclear dynamics on the time scale of nuclear motion—for example, dissociahon dynamics [181], transihon state spectroscopy [177, 181, 182], and vibrahonal energy redistribuhon [182]. Recent developments pertained to cluster electron dynamics [183], which involved electron-hole coherence of Wannier excitons and exciton wavepacket dynamics in semiconductor clusters and quantum dots [183], ultrafast electron-surface scattering in metallic clusters [184], and the dissipahon of plasmons into compression nuclear modes in metal clusters [185]. Another interesting facet of electron dynamics focused on nanoplasma formation and response in extremely highly ionized molecular clusters coupled to an... 

Radiolysis was found to be a useful tool in the synthesis of nanoparticles. Henglein and coworkers and Belloni and coworkers prepared many metallic (and pre-metallic) particles of a large variety of compositions over the last two decades. Both groups were able to show size dependence of the redox potential of the metallic ion/metallic atom (or cluster) couples from single atoms to relatively large clusters (94-97). Commonly the synthesis involves radiolytic reduction of metal ions in aqueous solutions but radiolytic production of silver particles was recently achieved in supercritical fluids as well (98). The particles produced by radiolytic reduction of the ions can be designed to assume a variety... 

The other three cluster states, 4Fe Fd , 3Fe Fd°, and 3Fe Fd , exhibit much more interesting and informative temperature behavior for the SJon, and the relationship of this temperature dependence and the electronic structure of the individual iron can be represented qualitatively" in Fig. 5. Equation (5) shows that the direction of the contact shifts (downfield or upfield) for a cluster ligand depends on the sign of (Sz)q. Thus, in the low-temperature limit onlyjhe ground state is populated (i.e., region 3 in Fig. 5), Sj, and hence the larger Sp, (in a cluster coupled to a... 

---