Beyond Charge Density Matching: The Role of C-H center dot center dot center dot O Interactions in the Formation of Templated Vanadium Tellurites

作者：Smith Matthew D; Blau Samuel M; Chang Kelvin B; Zeller Matthias; Schrier Joshua; Norquist Alexander J^*

来源：Crystal Growth & Design, 2011, 11(9): 4213-4219.

DOI：10.1021/cg2008232

Differences in the [V2Te2O10](n)(2n-) layer topologies in [C(6)Hi(6)N(2)][V2Te2O10] and [C5H14N2][V2Te2O10] are the result of deviations in the C-H center dot center dot center dot O hydrogen-bonding networks. Stronger influences, such as reagent concentrations and charge density matching, were minimized through the use of both nearly identical reaction gels and 2,5-dimethylpiperazine and 2-methylpiperaine, which have very similar charge densities. Reactant concentration and charge density matching effects were quantified using composition space analyses, molecular and geometric decomposition surface areas, and Iterative Hirshfeld partial atomic charges.

• 出版日期2011-9