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[二（3,5-二氟-2-（2-吡啶基）苯基-κC,N）{5-（2-吡啶基-κN）-3-[3-（4-乙烯基苄氧基）苯基]-1,2,4-三唑-1-亚基}铱（III）]甲醇溶剂合物

mer-Bis[3,5-difluoro-2-(2-pyrid-yl)phenyl-κC,N]{5-(2-pyridyl-κN)-3-[3-(4-vinyl-benz-yloxy)phen-yl]-1,2,4-triazol-1-ido}iridium(III) methanol solvate.

作者信息

Jones Peter G, Debeaux Marc, Weinkauf Andreas, Hopf Henning, Kowalsky Wolfgang, Johannes Hans-Hermann

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):m66-7. doi: 10.1107/S1600536809052726.

DOI:10.1107/S1600536809052726
PMID:21579961
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980050/
Abstract

In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(22)H(17)N(4)O)]·CH(3)OH, the coordination at iridium is essentially octa-hedral, but with distortions associated with the bite angles of the ligands [76.25 (9)-80.71 (12)°] and the differing trans influences of C and N ligands [Ir-N = 2.04 Å (average) trans to N but 2.14 Å trans to C]. All three bidentate ligands have coordinating ring systems that are almost coplanar [inter-planar angles = 1.7 (1)-3.8 (2)°]. The vinyl-benzyl group is disordered over two positions with occupations of 0.653 (4) and 0.347 (4). The methanol solvent mol-ecule is involved in a classical O-H⋯N hydrogen bond to a triazole N atom.

摘要

在标题化合物[Ir(C₁₁H₆F₂N)₂(C₂₂H₁₇N₄O)]·CH₃OH中，铱的配位基本上是八面体的，但存在与配体的咬角[76.25 (9)-80.71 (12)°]以及C和N配体不同的反位影响相关的畸变[Ir-N = 2.04 Å（平均值），N的反位，但C的反位为2.14 Å]。所有三个双齿配体都具有几乎共面的配位环系统[面间角 = 1.7 (1)-3.8 (2)°]。乙烯基苄基在两个位置上无序，占有率分别为0.653 (4)和0.347 (4)。甲醇溶剂分子通过经典的O-H⋯N氢键与一个三唑N原子相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ebe/2980050/31506520af5c/e-66-00m66-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ebe/2980050/1e3f9a13cdd3/e-66-00m66-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ebe/2980050/31506520af5c/e-66-00m66-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ebe/2980050/1e3f9a13cdd3/e-66-00m66-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ebe/2980050/31506520af5c/e-66-00m66-fig2.jpg

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Color tuning associated with heteroleptic cyclometalated Ir(III) complexes: influence of the ancillary ligand.
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Inter-ligand energy transfer and related emission change in the cyclometalated heteroleptic iridium complex: facile and efficient color tuning over the whole visible range by the ancillary ligand structure.环金属化杂配铱配合物中的配体间能量转移及相关发射变化：通过辅助配体结构在整个可见光范围内实现简便高效的颜色调节。
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Highly phosphorescent bis-cyclometalated iridium complexes: synthesis, photophysical characterization, and use in organic light emitting diodes.高磷光双环金属化铱配合物：合成、光物理表征及其在有机发光二极管中的应用
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Charge Separation in a Molecular Triad Consisting of an Iridium(III) - bis-terpy Central Core and Porphyrins as Terminal Electron Donor and Acceptor Groups We thank the French CNRS, the Italian CNR, and the European Commission COST programme D11/0004/98 ("New Aspects of Supramolecular Photochemistry: From Light-Harvesting Arrays to Molecular Machines") for financial support, and the French Ministry of Education, Research, and Technology for a fellowship to I.M.D. We are also grateful to Johnson Matthey for a generous loan of IrCl(3).由铱（III）-双三联吡啶中心核以及作为末端电子供体和受体基团的卟啉组成的分子三联体中的电荷分离 我们感谢法国国家科学研究中心、意大利国家研究委员会以及欧盟委员会COST项目D11/0004/98（“超分子光化学的新进展：从光捕获阵列到分子机器”）提供的资金支持，感谢法国教育、研究与技术部为I.M.D.提供的奖学金。我们还感谢庄信万丰公司慷慨出借IrCl(3)。
Angew Chem Int Ed Engl. 2000 Apr;39(7):1292-1295. doi: 10.1002/(sici)1521-3773(20000403)39:7<1292::aid-anie1292>3.0.co;2-v.