Changes in Electronic Properties of Polymeric One-Dimensional {[M(CN)2]-}n (M = Au, Ag) Chains Due to Neighboring Closed-Shell Zn(II) or Open-Shell Cu(II) Ions

被引:24
作者
Baril-Robert, Francois [1 ]
Li, Xiaobo [1 ]
Katz, Michael J. [2 ]
Geisheimer, Andrew R. [2 ]
Leznoff, Daniel B. [2 ]
Patterson, Howard [1 ]
机构
[1] Univ Maine, Dept Chem, Orono, ME 04473 USA
[2] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada
基金
美国国家科学基金会;
关键词
ENGINEERING DESIGN ELEMENTS; COORDINATION POLYMERS; EXCITATION-ENERGIES; GOLD; LUMINESCENCE; APPROXIMATION; POLYMORPHISM; CRYSTALS; IMPACT;
D O I
10.1021/ic101841a
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
A series of d(10) dicyanometallate polymeric compounds were studied by electronic spectroscopy and density functional theory (DFT) calculations. In these materials, the negatively charged one-dimensional (1D) polymeric chains are linked together by [M(en)(2)](2+) (M = Cu(II) and Zn(II); en = ethylenediamine). More than innocent building blocks, the [M(en)2] units offer a possible synthetic way to modify electronic properties of the materials. Through its low energy d-d excited state, the d(9) copper(II) ions offer deactivation pathways for the normally emissive dicyanometallate polymer. Deactivation was shown to be specific to the excited state energy.
引用
收藏
页码:231 / 237
页数:7
相关论文
共 52 条
[1]   Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers [J].
Aguiar, Pedro M. ;
Katz, Michael J. ;
Leznoff, Daniel B. ;
Kroeker, Scott .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (32) :6925-6934
[2]   Tuning of electronic properties of one-dimensional cyano-bridged CuII-NiII, CuII-PdII, and CuII-PtII bimetallic assemblies by stereochemistry of ligands [J].
Akitsu, Takashiro ;
Einaga, Yasuaki .
INORGANICA CHIMICA ACTA, 2008, 361 (01) :36-42
[3]   PHOTOLUMINESCENCE AND ELECTRONIC-STRUCTURE OF TL[AU(CN)2] - EVIDENCE FOR RELATIVISTIC EFFECTS IN THALLIUM GOLD AND GOLD GOLD INTERACTIONS [J].
ASSEFA, Z ;
DESTEFANO, F ;
GAREPAPAGHI, MA ;
LACASCE, JH ;
OUELLETE, S ;
CORSON, MR ;
NAGLE, JK ;
PATTERSON, HH .
INORGANIC CHEMISTRY, 1991, 30 (14) :2868-2876
[4]  
Balch L., 2007, BONDING BERLIN, V123, P1
[5]  
Batten SR, 2009, COORDINATION POLYMERS: DESIGN, ANALYSIS AND APPLICATION, P1
[6]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[7]   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
[8]   Inorganic crystal engineering using self-assembly of tailored building-blocks [J].
Blake, AJ ;
Champness, NR ;
Hubberstey, P ;
Li, WS ;
Withersby, MA ;
Schröder, M .
COORDINATION CHEMISTRY REVIEWS, 1999, 183 :117-138
[9]   Developments in inorganic crystal engineering [J].
Brammer, L .
CHEMICAL SOCIETY REVIEWS, 2004, 33 (08) :476-489
[10]   Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold [J].
Casida, ME ;
Jamorski, C ;
Casida, KC ;
Salahub, DR .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (11) :4439-4449