[R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers

被引：34

作者：

Glor, Ethan C. ^{[1
]}

Blau, Samuel M. ^{[1
]}

Yeon, Jeongho ^{[3
]}

Zeller, Matthias ^{[2
]}

Halasyamani, Shiv ^{[3
]}

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

[3] Univ Houston, Dept Chem, Houston, TX 77204 USA

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2011年 / 184卷 / 06期

基金：

美国国家科学基金会;

关键词：

Vanadium; Tellurite; Stereoactive lone pairs; Iterative Hirshfeld; Dipole moment; NONLINEAR-OPTICAL MATERIALS; BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURES; ELECTRON LOCALIZATION; DIRECTED SYNTHESIS; MOLECULES; OXIDES; SELENITES; SERIES;

D O I：

10.1016/j.jssc.2011.04.016

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

New polar vanadium tellurite enantiomers have been synthesized under mild hydrothermal conditions through the use of sodium metavanadate, sodium tellurite and enantiomerically pure sources of either R-3-aminioquinuclidine or S-3-aminioquinuclidine. [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10] contain [V2Te2O10](n)(2n-) layers constructed from [(VO2)(2)O(TeO4)(2)] monomers. Steric effects associated with the hydrogen-bonding network between the [V2Te2O10](n)(2n)- layers and [C7H16N2](2+) result in polar structures and crystallization in the space group P2(1) (no. 4). Electron localization functions were calculated to visualize the tellurite stereoactive lone pairs. Both iterative and non-iterative Hirshfeld techniques were evaluated as means to determine atomic partial charges, with iterative Hirshfeld charges more accurately representing charge distributions in the reported enantiomers. These charges were used to calculate both component and net dipole moments. [R-C7H16N2[V2Te2O10]] and [S-C7H16N2][V2Te2O10] exhibit dipole moments of 17.37 and 16.62D, respectively. [R-C7H16N2][V2Te2O10] and [S-C7H16N2]]V2Te2O10] both display type 1 phase-matching capabilities and exhibit second harmonic generation activities of similar to 50 x alpha-SiO2. (C) 2011 Elsevier Inc. All rights reserved.

引用

页码：1445 / 1450

页数：6

共 71 条

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