Complexation neutron diffraction

The correlation functions provide an alternate route to the equilibrium properties of classical fluids. In particular, the two-particle correlation fimction of a system with a pairwise additive potential detemrines all of its themiodynamic properties. It also detemrines the compressibility of systems witir even more complex tliree-body and higher-order interactions. The pair correlation fiinctions are easier to approximate than the PFs to which they are related they can also be obtained, in principle, from x-ray or neutron diffraction experiments. This provides a useful perspective of fluid stmcture, and enables Hamiltonian models and approximations for the equilibrium stmcture of fluids and solutions to be tested by direct comparison with the experimentally detennined correlation fiinctions. We discuss the basic relations for the correlation fiinctions in the canonical and grand canonical ensembles before considering applications to model systems. 

H2 could be quantitatively removed at room temperature either by partial evacuation or by sparging the solution with argon. Definitive confirmation that the complexes did indeed contain 7J--H2 came from X-ray and neutron diffraction studies on the bisftri t-propylphosphine) analogue at —100°, which revealed the side-on coordination of H2 as shown in Fig. 3.2. During the past decade many other such compounds have been prepared and studied in great detail, and the field has been well reviewed. ... 

The CK" ion can act either as a monodentate or bidentate ligand. Because of the similarity of electron density at C and N it is not usually possible to decide from X-ray data whether C or N is the donor atom in monodentate complexes, but in those cases where the matter has been established by neutron diffraction C is always found to be the donor atom (as with CO). Very frequently CK acts as a bridging ligand - CN- as in AgCN, and AuCN (both of which are infinite linear chain polymers), and in Prussian-blue type compounds (p. 1094). The same tendency for a coordinated M CN group to form a further donor-aceeptor bond using the lone-pair of electrons on the N atom is illustrated by the mononuclear BF3 complexes... 

On an industrial scale PCI3 is sprayed into steam at 190 and the product sparged of residual water and HCl using nitrogen at 165. Phosphorous acid forms colourless, deliquescent crystals, mp 70. T, in which the structural units shown form four essentially linear H bonds (O - H 155-I60pm) which. stabilize a complex 3D network. The molecular dimensions were determined by low-temperature single-crystal neutron diffraction at 15K.f - ... 

Beryllium(II) is the smallest metal ion, r = 27 pm (2), and as a consequence forms predominantly tetrahedral complexes. Solution NMR (nuclear magnetic resonance) (59-61) and x-ray diffraction studies (62) show [Be(H20)4]2+ to be the solvated species in water. In the solid state, x-ray diffraction studies show [Be(H20)4]2+ to be tetrahedral (63), as do neutron diffraction (64), infrared, and Raman scattering spectroscopic studies (65). Beryllium(II) is the only tetrahedral metal ion for which a significant quantity of both solvent-exchange and ligand-substitution data are available, and accordingly it occupies a... 

The neutral Irv complex, cp Ir(H)2(SiEt3)2, has been studied by neutron diffraction and its structural characteristics compared to those of the isomorphous Rh analogue.6 The significant differences are longer metal-ligand distances and larger bond angles for the Ir species. 

Without any doubt, the zeolite framework porous characteristics (micropores sizes and topology) largely govern the zeolite properties and their industrial applications. Nevertheless for some zeolite uses, as for instance, host materials for confined phases, the zeolite inner surface characteristics should be precised to understand their influence on such low dimensionality sorbed systems. In that paper, we present illustrative examples of zeolite inner surface influence on confined methane phases. Our investigation extends from relatively complex zeolite inner surface types (as for MOR structural types) to the model inner surface ones (well illustrated by the AFI zeolite type). Sorption isotherm measurements associated with neutron diffraction experiments are used in the present study. 

X-Ray/Neutron Diffraction Data for Hydrido-Bridged Complexes... 

---