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

被引：13

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

共 45 条

[1] COMPLETION AND REFINEMENT OF CRYSTAL-STRUCTURES WITH SIR92 [J].

ALTOMARE, A ;

CASCARANO, G ;

GIACOVAZZO, C ;

GUAGLIARDI, A .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1993, 26 (pt 3) :343-350

[2] SIMPLE CALCULATIONS OF BOND LENGTHS AND BOND ANGLES IN CERTAIN OXIDES, FLUORIDES OR OXIDE FLUORIDES OF SB3+, TE4+ AND PB2+ [J].

ANDERSSON, S ;

ASTROM, A ;

GALY, J ;

MEUNIER, G .

JOURNAL OF SOLID STATE CHEMISTRY, 1973, 6 (02) :187-190

[3]

[Anonymous], APEX2 V2009 7 0

[4] CRYSTALS version 12: software for guided crystal structure analysis [J].

Betteridge, PW ;

Carruthers, JR ;

Cooper, RI ;

Prout, K ;

Watkin, DJ .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :1487-1487

[5] BOND-VALENCE PARAMETERS FOR SOLIDS [J].

BRESE, NE ;

OKEEFFE, M .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1991, 47 :192-197

[6] BOND-VALENCE PARAMETERS OBTAINED FROM A SYSTEMATIC ANALYSIS OF THE INORGANIC CRYSTAL-STRUCTURE DATABASE [J].

BROWN, ID ;

ALTERMATT, D .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1985, 41 (AUG) :244-247

[7] Uniqueness and basis set dependence of iterative Hirshfeld charges [J].

Bultinck, Patrick ;

Ayers, Paul W. ;

Fias, Stijn ;

Tiels, Koen ;

Van Alsenoy, Christian .

CHEMICAL PHYSICS LETTERS, 2007, 444 (1-3) :205-208

[8] Critical analysis and extension of the Hirshfeld atoms in molecules [J].

Bultinck, Patrick ;

Van Alsenoy, Christian ;

Ayers, Paul W. ;

Carbo-Dorca, Ramon .

JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (14)

[9] Charge density matching in templated molybdates [J].

Casalongue, Hernan Sanchez ;

Choyke, Sarah J. ;

Sarjeant, Amy Narducci ;

Schrier, Joshua ;

Norquist, Alexander J. .

JOURNAL OF SOLID STATE CHEMISTRY, 2009, 182 (06) :1297-1303

[10] The Role of Stereoactive Lone Pairs in Templated Vanadium Tellurite Charge Density Matching [J].

Chang, Kelvin B. ;

Hubbard, Desmond J. ;

Zeller, Matthias ;

Schrier, Joshua ;

Norquist, Alexander J. .

INORGANIC CHEMISTRY, 2010, 49 (11) :5167-5172

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