(B15c5) BiI3(I2): Molecular Benzo-15-Crown-5-BiI3 Complexes Bridged by Iodine Molecules to Chains

被引：3

作者：

Fiolka, Christoph ^{[1
]}

Richter, Mark ^{[2
]}

Pantenburg, Ingo ^{[1
]}

Mudring, Anja-Verena ^{[2
]}

Meyer, Gerd ^{[1
]}

机构：

[1] Univ Cologne, Dept Chem, D-50939 Cologne, Germany

[2] Ruhr Univ Bochum, Fak Chem, D-44780 Bochum, Germany

来源：

CRYSTALS | 2011年 / 1卷 / 04期

关键词：

bismuth; iodine; crown ether; crystal structure; chemical bonding; ZETA VALENCE QUALITY; BASIS-SETS; CRYSTAL-STRUCTURES; REFINEMENT; HALIDES; RADII;

D O I：

10.3390/cryst1040220

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The reaction of bismuth triiodide with iodine and benzo-15-crown-5 in ethanol/dichloromethane yielded red single crystals of (b15c5) BiI3(I-2) (monoclinic, P2(1)/c (no. 14), a = 1376.9(1), b = 1172.7(1), c = 1700.2(2) pm, beta = 115.197(6), V = 2484.1(4).10(6) pm(3), Z = 4). Neutral pseudo- octahedral complexes (b15c5) BiI3 are connected by secondary bonding interactions via iodine molecules to chains. Electronic structure calculations of the neutral complex (b15c5) BiI3 reveal that the compound can indeed be described as b15c5 interacting with a molecular BiI3 unit. However, bonding has to be mainly electrostatic as the interactions of the bismuth 6s lone pair with the 2p orbitals of the oxygen atoms of the crown ether are clearly antibonding.

引用

页码：220 / 228

页数：9

共 34 条

[11] Fiolka C, 2010, THESIS
[12] The atomic arrangement in the crystal of orthorhombic iodine
Harris, PM
Mack, E
Blake, FC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1928, 50 : 1583 - 1600
[13] Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn
Hellweg, Arnim
Haettig, Christof
Hoefener, Sebastian
Klopper, Wim
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2007, 117 (04) : 587 - 597
[14] ANOMALOUS ELECTRON SCATTERING FROM IODINE VAPOR
KARLE, IL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (09) : 1739 - 1739
[15] Lone pair effect in thallium(I) macrocyclic compounds
Mudring, AV
Rieger, F
[J]. INORGANIC CHEMISTRY, 2005, 44 (18) : 6240 - 6243
[16] Bis(tetrabutylammonium) decaiodotetramercurate(II), (Bu4N)2[Hg4I10]
Nockemann, P
Meyer, G
[J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2003, 59 : M236 - M238
[17] Tetrahedra and vertex-sharing double tetrahedra in the ammonium iodomercurates(II) (NH4)7[HgI4]2[Hg2I7](H2O) and (NH4)3[Hg2I7]
Nockemann, Peter
Pantenburg, Ingo
Meyer, Gerd
[J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2006, 632 (12-13): : 1972 - 1974
[18] COMPLEXATION CHEMISTRY OF BISMUTH(III) HALIDES WITH CROWN ETHERS AND POLYETHYLENE GLYCOLS - STRUCTURAL MANIFESTATIONS OF A STEREOCHEMICALLY ACTIVE LONE PAIR
ROGERS, RD
BOND, AH
AGUINAGA, S
REYES, A
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (08) : 2967 - 2977
[19] PREPARATION AND CRYSTAL-STRUCTURE OF BISMUTH TRIIODIDE FREE OF STACKING-FAULTS
RUCK, M
[J]. ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1995, 210 (09): : 650 - 655
[20] FULLY OPTIMIZED CONTRACTED GAUSSIAN-BASIS SETS OF TRIPLE ZETA VALENCE QUALITY FOR ATOMS LI TO KR
SCHAFER, A
HUBER, C
AHLRICHS, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (08) : 5829 - 5835

← 1 2 3 4 →