Organometallic chemistry spin = 1/2 systems

Considerable work has already been carried out using ab initio calculations to predict the photodissociation dynamics of gas-phase metal carbonyls (45). This is a fertile area for computational work, given the extensive experimental results available, which include the use of ultrafast methods to characterize the short time behavior in photoexcited states. There is considerable evidence that surface crossings, especially of a spin-forbidden nature, play a considerable part in the dynamics. Much of the theoretical work so far has focused on reduced-dimensionality models of the PESs, which have been used in quantum mechanical smdies of the nonadiabatic nuclear dynamics, in which spin-forbidden transitions are frequently observed (45). Here, too, the potential benefits to be derived from a proper understanding of the spin-state chemistry are considerable, due to the importance of light-induced processes in organometallic and bioinorganic systems. 

Structural study of surfactant-based microheterogeneous liquid systems by the example of cetyltrimethylammonium bromide microemulsions under a tame scale alterations in the water-to-oil ratio. The advantages of this approach to study the structure of microcompartmentalized systems with different phase manifestations are shown. The obtained structural information is used to analyze the microenvironment of the reacting species and the kinetic data on the basic hydrolysis of carbon acids esters in the microemulsion reaction medium. Cohen et discussed diffusion NMR in supramolecular and combinatorial chemistry. Pregosin applied H, F, and pulsed field-gradient spin echo (PGSE) diffusion NMR spectroscopy in organometallic and catalytic chemistry. 

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