In this work we present a quantitative analysis of both quadrupolar splittings and deuterium Zeeman and quadrupolar spin-lattice relaxation times reported in the literature for two isotopomers of Azpac, an acetylac- etonate derivative of the cyclopalladated 4,4’-bishexyloxy azoxybenzene. Azpac-d4 is deuterated at the aromatic rings and Azpac-d26 is deuterated on the alkoxy chains. The additive potential method is used to model the splittings, while the derived spectral densities are interpreted using the decoupled model in conjunc- tion with the Nordio model. The two side chains are assumed to be noninteracting and identical in their conformations in order to limit the size of the transition rate matrix needed to describe correlated internal bond rotations in the chains. Rotational diffusion constants and internal jump rate constants are derived for this metallomesogen.
Conformational dynamics of a metallomesogen studied by H-2-NMR spectroscopy
GEPPI, MARCO;VERACINI, CARLO ALBERTO
2000-01-01
Abstract
In this work we present a quantitative analysis of both quadrupolar splittings and deuterium Zeeman and quadrupolar spin-lattice relaxation times reported in the literature for two isotopomers of Azpac, an acetylac- etonate derivative of the cyclopalladated 4,4’-bishexyloxy azoxybenzene. Azpac-d4 is deuterated at the aromatic rings and Azpac-d26 is deuterated on the alkoxy chains. The additive potential method is used to model the splittings, while the derived spectral densities are interpreted using the decoupled model in conjunc- tion with the Nordio model. The two side chains are assumed to be noninteracting and identical in their conformations in order to limit the size of the transition rate matrix needed to describe correlated internal bond rotations in the chains. Rotational diffusion constants and internal jump rate constants are derived for this metallomesogen.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
