Probing structural adaptability in templated vanadium selenites

被引：7

作者：

Adler, Philip D. F. ^{[1
]}

Xu, Rosalind ^{[1
]}

Olshansky, Jacob H. ^{[1
]}

Smith, Matthew D. ^{[1
]}

Elbert, Katherine C. ^{[1
]}

Yang, Yunwen ^{[1
]}

Ferrence, Gregory M. ^{[3
]}

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

[3] Illinois State Univ, Dept Chem, Normal, IL 61790 USA

来源：

POLYHEDRON | 2016年 / 114卷

基金：

美国国家科学基金会;

关键词：

Vanadium selenites; Formation hypotheses; Hydrothermal; Machine learning; Decision tree; BOND-VALENCE PARAMETERS; HYDROTHERMAL SYNTHESIS; CRYSTAL-STRUCTURES; HYBRID; STABILITY; ZEOLITES; PROGRAM; SOLIDS; DESIGN;

D O I：

10.1016/j.poly.2015.11.038

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The structural adaptability of [V3O5(SeO3)(3)](n)(2n-) layers in organically templated vanadium selenites was determined using a three step approach involving (i) an 84 reaction study with 14 distinct organic amines and 6 different reaction conditions, (ii) decision tree construction using both dependent and independent variables, and (iii) the derivation of chemical hypotheses. Formation of [V3O5(SeO3)(3)](n)(2n-) layers requires that three criteria be met. First, compound stabilization through hydrogen-bonding with specific nucleophilic oxide ions is needed, requiring the presence of a primary ammonium site on the respective organic amine. Second, layer formation is facilitated through the use of compact ammonium cations that are able to achieve charge density matching with the anionic layers. Third, competition between organic ammonium cations and NH4+, which affects product formation, can be controlled through reagent choice and initial reactant concentrations. This approach to elucidate structural adaptability is generalizable and can be applied to a range of chemical systems. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：184 / 193

页数：10

共 64 条

[51] Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks [J].

Olshansky, Jacob H. ;

Thanh Thao Tran ;

Hernandez, Kristen J. ;

Zeller, Matthias ;

Halasyamani, P. Shiv ;

Schrier, Joshua ;

Norquist, Alexander J. .

INORGANIC CHEMISTRY, 2012, 51 (20) :11040-11048

[52] CRITIC2: A program for real-space analysis of quantum chemical interactions in solids [J].

Otero-de-la-Roza, A. ;

Johnson, Erin R. ;

Luana, Victor .

COMPUTER PHYSICS COMMUNICATIONS, 2014, 185 (03) :1007-1018

[53] Critic: a new program for the topological analysis of solid-state electron densities [J].

Otero-de-la-Roza, A. ;

Blanco, M. A. ;

Pendas, A. Martin ;

Luana, Victor .

COMPUTER PHYSICS COMMUNICATIONS, 2009, 180 (01) :157-166

[54] Exceptional chemical and thermal stability of zeolitic imidazolate frameworks [J].

Park, Kyo Sung ;

Ni, Zheng ;

Cote, Adrien P. ;

Choi, Jae Yong ;

Huang, Rudan ;

Uribe-Romo, Fernando J. ;

Chae, Hee K. ;

O'Keeffe, Michael ;

Yaghi, Omar M. .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006, 103 (27) :10186-10191

[55] Organically templated vanadyl selenites with layered structures [J].

Pasha, I ;

Choudhury, A ;

Rao, CNR .

INORGANIC CHEMISTRY, 2003, 42 (02) :409-415

[56] THE ROLE OF HYDROTHERMAL SYNTHESIS IN PREPARATIVE CHEMISTRY [J].

RABENAU, A .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1985, 24 (12) :1026-1040

[57] Exploration of a simple universal route to the myriad of open-framework metal phosphates [J].

Rao, CNR ;

Natarajan, S ;

Neeraj, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (12) :2810-2817

[58] The adaptable Lyonsite structure [J].

Smit, Jared P. ;

Stair, Peter C. ;

Poeppelmeier, Kenneth R. .

CHEMISTRY-A EUROPEAN JOURNAL, 2006, 12 (23) :5944-5953

[59] A Layered Hybrid Perovskite Solar-Cell Absorber with Enhanced Moisture Stability [J].

Smith, Ian C. ;

Hoke, Eric T. ;

Solis-Ibarra, Diego ;

McGehee, Michael D. ;

Karunadasa, Hemamala I. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (42) :11232-11235

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

Smith, Matthew D. ;

Blau, Samuel M. ;

Chang, Kelvin B. ;

Zeller, Matthias ;

Schrier, Joshua ;

Norquist, Alexander J. .

CRYSTAL GROWTH & DESIGN, 2011, 11 (09) :4213-4219

← 1 2 3 4 5 6 7 →