Molecular Insights into Bulk and Porous κ2P,N-PTA Metal- Organic Polymers by Simultaneous Raman Spectroscopy and Inelastic Neutron Scattering.

Abstract

Simultaneous Raman spectroscopy and inelastic neutron scattering have been used to obtain structural information about the isomeric metal-organic polymers trans-[{RuCp- (PTA)2-μ-CN-1κC:2κ2N-RuCp(PTA)2}-μ-CoCl3]n·(DMSO)n (2), cis- {[{RuCp(PTA)2-μ-CN-1κC:2κ2N-RuCp(PTA)2}-μ-CoCl3]}n·{[RuCp- (PTA)2-μ-CN-1κC:2κ2N-RuCp(PTA)2]Cl}0.5n·(15H2O)n (3) and {[{RuCp(PTA)2-μ-CN-1κC:2κ2N-RuCp(PTA)2}-μ-CoCl3]}n·{[RuCp- (PTA)2-μ-CN-1κC:2κ2N-RuCp(PTA)2]Cl}0.5n (4) (PTA = 1,3,5-triaza- 7-phosphaadamantane). Despite the complexity of the compounds, the combination of both techniques has been useful to understand the conformation-dependent fingerprint of the polymers and, at the same time, to obtain preliminary information about how the water molecules are confined in the structural channels of 3.