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

被引：14

作者：

Smith, Matthew D. ^{[1
]}

Blau, Samuel M. ^{[1
]}

Chang, Kelvin B. ^{[1
]}

Zeller, Matthias ^{[2
]}

Schrier, Joshua ^{[1
]}

Norquist, Alexander J. ^{[1
]}

机构：

[1] Haverford Coll, Dept Chem, Haverford, PA 19041 USA

[2] Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA

来源：

CRYSTAL GROWTH & DESIGN | 2011年 / 11卷 / 09期

关键词：

COMPOSITION SPACE ANALYSIS; OPEN-FRAMEWORK MATERIALS; BOND-VALENCE PARAMETERS; URANIUM SULFATES; CRYSTAL-STRUCTURES; OXIDE FLUORIDES; MOLYBDATES; PHOSPHATES; PACKING; SOLIDS;

D O I：

10.1021/cg2008232

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：4213 / 4219

页数：7

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