Suppr超能文献

[Fe(TalkylP)(Cl)]（烷基 = 乙基、正丙基、正己基）配合物中的环间相互作用：由内消旋取代基控制

Inter-Ring Interactions in [Fe(TalkylP)(Cl)] (alkyl = ethyl, n-propyl, n-hexyl) Complexes: Control by meso-Substituted Groups.

作者信息

Li Ming, Neal Teresa J, Ehlinger Noelle, Schulz Charles E, Scheidt W Robert

机构信息

The Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556.

出版信息

J Porphyr Phthalocyanines. 2010 Jan 1;14(1):115-122. doi: 10.1142/S1088424610001714.

DOI:10.1142/S1088424610001714
PMID:20526455
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2879655/
Abstract

Syntheses, molecular structures and magnetic susceptibilities of three meso-substituted high-spin iron(III) porphyrinate complexes ([Fe(TEtP)(Cl)], [Fe(TPrP)(Cl)], and [Fe(THexP)(Cl)]) are described. It was determined that the inter-ring interactions within each dimeric unit change upon alteration of the alkyl groups at the meso-positions. Magnetic exchange couplings between iron centers of the dimers are in accord with the trends in structural inter-ring geometries. Crystal data for [Fe(TEtP)(Cl)]: a = 10.1710(5) Å, b = 11.309(3) Å, c = 12.170(3) Å, α = 91.774(9) °, β = 113.170(14) °, γ = 112.149(9) °, V = 1165.2(4) Å(3), triclinic, P1̄, Z = 2, R(1) = 0.0844 and ωR(2) = 0.2073 for observed data. Crystal data for [Fe([Fe(TPrP)(Cl)])(Cl)]: a = 13.040(2) Å, b = 15.221(2) Å, c = 14.6681(9) Å, β = 109.997(11) °, V = 2735.9(7) Å(3), monoclinic, P2(1)/n, Z = 4, R(1) = 0.0477 and ωR(2) = 0.1176 for observed data. Crystal data for [Fe(THexP)(Cl)]: a = 10.246(7) Å, b = 12.834(4) Å, c = 17.420(15) Å, α = 69.74(3) °, β = 87.52(4) °, γ, = 84.89(3) °, V = 2140(2) Å(3), triclinic, P1̄, Z = 2, R(1) = 0.1024 and ωR(2) = 0.2659 for observed data.

摘要

描述了三种中位取代的高自旋铁（III）卟啉配合物（[Fe(TEtP)(Cl)]、[Fe(TPrP)(Cl)]和[Fe(THexP)(Cl)]）的合成、分子结构和磁化率。已确定，随着中位烷基的改变，每个二聚体单元内的环间相互作用会发生变化。二聚体中铁中心之间的磁交换耦合与结构环间几何形状的趋势一致。[Fe(TEtP)(Cl)]的晶体数据：a = 10.1710(5) Å，b = 11.309(3) Å，c = 12.170(3) Å，α = 91.774(9) °，β = 113.170(14) °，γ = 112.149(9) °，V = 1165.2(4) Å(3)，三斜晶系，P1̄，Z = 2，对于观测数据，R(1) = 0.0844，ωR(2) = 0.2073。[Fe([Fe(TPrP)(Cl)])(Cl)]的晶体数据：a = 13.040(2) Å，b = 15.221(2) Å，c = 14.6681(9) Å，β = 109.997(11) °，V = 2735.9(7) Å(3)，单斜晶系，P2(1)/n，Z = 4，对于观测数据，R(1) = 0.0477，ωR(2) = 0.1176。[Fe(THexP)(Cl)]的晶体数据：a = 10.246(7) Å，b = 12.834(4) Å，c = 17.420(15) Å，α = 69.74(3) °，β = 87.52(4) °，γ = 84.89(3) °，V = 2140(2) Å(3)，三斜晶系，P1̄，Z = 2，对于观测数据，R(1) = 0.1024，ωR(2) = 0.2659。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6f2/2879655/ea68049d19ee/nihms196773f1.jpg

相似文献

1
Inter-Ring Interactions in [Fe(TalkylP)(Cl)] (alkyl = ethyl, n-propyl, n-hexyl) Complexes: Control by meso-Substituted Groups.[Fe(TalkylP)(Cl)]（烷基 = 乙基、正丙基、正己基）配合物中的环间相互作用：由内消旋取代基控制
J Porphyr Phthalocyanines. 2010 Jan 1;14(1):115-122. doi: 10.1142/S1088424610001714.
2
Structural and magnetic effects of meso-substitution in alkyl-substituted metalloporphyrinate pi-cation radicals: characterization of [Fe(TalkylP*)(Cl)]SbCl6 (alkyl = ethyl and n-propyl).中取代基对烷基取代金属卟啉阳离子自由基的结构和磁性的影响：[Fe(TalkylP*)(Cl)]SbCl6（alkyl = 乙基和正丙基）的特性。
Inorg Chem. 2010 Sep 6;49(17):8078-85. doi: 10.1021/ic101099z.
3
Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO)] and [Fe(TPrP)(THF)]ClO (alkyl = Ethyl, Et and -Propyl, Pr).皱波卟啉环对电子结构的影响：[Fe(TalkylP)(OClO)]和[Fe(TPrP)(THF)]ClO（烷基 = 乙基，Et和 - 丙基，Pr）的结构与表征
J Porphyr Phthalocyanines. 2013 Jan;17(1n02):118-124. doi: 10.1142/S1088424612501362.
4
Magnetic interactions in the high-spin iron(III) oxooctaethylchlorinato derivative [Fe(oxoOEC)(Cl)] and its pi-cation radical [Fe(oxoOEC.)(Cl)]SbCl6.高自旋铁（III）氧代八乙基氯代衍生物[Fe(oxoOEC)(Cl)]及其π-阳离子自由基[Fe(oxoOEC.)(Cl)]SbCl6中的磁相互作用
Inorg Chem. 2000 Mar 6;39(5):872-80. doi: 10.1021/ic991052w.
5
Bis(pyrazol-1-yl)acetates as tripodal heteroscorpionate ligands in iron chemistry: syntheses and structures of iron(II) and iron(III) complexes with bpza, bdmpza, and bdtbpza ligands.双（吡唑-1-基）乙酸酯作为铁化学中的三脚架异蝎形配体：铁（II）和铁（III）与bpza、bdmpza和bdtbpza配体配合物的合成与结构
Inorg Chem. 2003 Nov 3;42(22):7182-8. doi: 10.1021/ic034097c.
6
The series of molecular conductors and superconductors ET4[AFe(C2O4)3]·PhX (ET = bis(ethylenedithio)tetrathiafulvalene; (C2O4)2- = oxalate; A+ = H3O+, K+; X = F, Cl, Br, and I): influence of the halobenzene guest molecules on the crystal structure and superconducting properties.一系列分子导体和超导体 ET4[AFe(C2O4)3]·PhX（ET = 双（乙二硫代）四硫富瓦烯；(C2O4)2- = 草酸根；A+ = H3O+，K+；X = F，Cl，Br，I）：卤代苯客体分子对晶体结构和超导性能的影响。
Inorg Chem. 2012 Jan 16;51(2):1111-26. doi: 10.1021/ic202269x. Epub 2011 Dec 23.
7
Rhenium(I) carbonyl complexes of 2,4,6-tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-promoted methoxylation of the triazine ring carbon atom in dinuclear rhenium complexes.2,4,6-三（2-吡啶基）-1,3,5-三嗪（TPT）的铼（I）羰基配合物。双核铼配合物中铼（I）促进的三嗪环碳原子的甲氧基化反应。
Inorg Chem. 2001 Jun 4;40(12):2769-77. doi: 10.1021/ic000446g.
8
Copper(I) complexes, copper(I)/O(2) reactivity, and copper(II) complex adducts, with a series of tetradentate tripyridylalkylamine tripodal ligands.具有一系列四齿三吡啶基烷基胺三脚架配体的铜（I）配合物、铜（I）/氧气反应性以及铜（II）配合物加合物。
Inorg Chem. 2001 May 7;40(10):2312-22. doi: 10.1021/ic000924n.
9
Probing the influence of local coordination environment on the properties of Fe-type nitrile hydratase model complexes.探究局部配位环境对铁型腈水合酶模型配合物性质的影响。
Inorg Chem. 2001 Mar 26;40(7):1646-53. doi: 10.1021/ic001271d.
10
Electron Transfer in Mixed-Valence [Fe(III)(2)Fe(II)O(O(2)CCH(3))(6)(3-Cl-py)(3)].3-Cl-py: Effects of a Crystallographic Phase Transition and Conversion of Solvate and Ligand Molecules from Statically Disordered to Dynamically Disordered on the Valence Detrapping.混合价态[Fe(III)₂Fe(II)O(O₂CCH₃)₆(3 - Cl - py)₃]·3 - Cl - py中的电子转移：晶体相变以及溶剂化物和配体分子从静态无序到动态无序的转变对价态去俘获的影响
Inorg Chem. 1997 Oct 8;36(21):4717-4733. doi: 10.1021/ic9700314.

引用本文的文献

1
Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO)] and [Fe(TPrP)(THF)]ClO (alkyl = Ethyl, Et and -Propyl, Pr).皱波卟啉环对电子结构的影响：[Fe(TalkylP)(OClO)]和[Fe(TPrP)(THF)]ClO（烷基 = 乙基，Et和 - 丙基，Pr）的结构与表征
J Porphyr Phthalocyanines. 2013 Jan;17(1n02):118-124. doi: 10.1142/S1088424612501362.
2
Metalloporphyrin mixed-valence π-cation radicals: [Fe(oxoOEC(•/2))(Cl)]2SbCl6, structure, magnetic properties, and near-IR spectra.金属卟啉混合价 π-阳离子自由基：[Fe(oxoOEC(•/2))(Cl)]2SbCl6，结构、磁性和近红外光谱。
Inorg Chem. 2011 Sep 19;50(18):9114-21. doi: 10.1021/ic201292t. Epub 2011 Aug 2.
3
Structural and magnetic effects of meso-substitution in alkyl-substituted metalloporphyrinate pi-cation radicals: characterization of [Fe(TalkylP*)(Cl)]SbCl6 (alkyl = ethyl and n-propyl).中取代基对烷基取代金属卟啉阳离子自由基的结构和磁性的影响：[Fe(TalkylP*)(Cl)]SbCl6（alkyl = 乙基和正丙基）的特性。
Inorg Chem. 2010 Sep 6;49(17):8078-85. doi: 10.1021/ic101099z.

本文引用的文献

1
Low-Spin Iron(III) Chiroporphyrins: (1)H NMR Studies of Cyanide and Substituted Imidazole Coordination.低自旋铁（III）手性卟啉：氰化物和取代咪唑配位的（1）H NMR研究
Inorg Chem. 1998 Apr 20;37(8):2096. doi: 10.1021/ic9802707.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
3
Energetics and structural consequences of axial ligand coordination in nonplanar nickel porphyrins.非平面镍卟啉中轴向配体配位的能量学和结构后果
J Am Chem Soc. 2005 Feb 2;127(4):1179-92. doi: 10.1021/ja045309n.
4
Effects of a nonplanar porphyrin rings on the spin-spin interactions in low-spin ferric porphyrin radical cationst.非平面卟啉环对低自旋铁卟啉自由基阳离子中自旋-自旋相互作用的影响。
Chem Commun (Camb). 2003 Jan 21(2):220-1. doi: 10.1039/b210229c.
5
Origin of the red shifts in the optical absorption bands of nonplanar tetraalkylporphyrins.非平面四烷基卟啉光学吸收带中红移的起源。
J Am Chem Soc. 2003 Feb 5;125(5):1253-68. doi: 10.1021/ja0280933.
6
High-Spin (meso-Tetraalkylporphyrinato)iron(III) Complexes As Studied by X-ray Crystallography, EPR, and Dynamic NMR Spectroscopies.通过X射线晶体学、电子顺磁共振和动态核磁共振光谱研究的高自旋（中-四烷基卟啉铁（III））配合物
Inorg Chem. 1999 Mar 22;38(6):1276-1281. doi: 10.1021/ic981184+.
7
Comparative Analysis of the Conformations of Symmetrically and Asymmetrically Deca- and Undecasubstituted Porphyrins Bearing Meso-Alkyl or -Aryl Groups.含中位烷基或芳基的对称和不对称十取代及十一取代卟啉构象的比较分析
Inorg Chem. 1997 Mar 12;36(6):1149-1163. doi: 10.1021/ic961156w.
8
Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-kappa4N)iron(III) chloroform solvate.氯（3,6,13,16-四乙基-2,7,12,17-四甲基卟吩并四氮杂卟啉合κ4N）铁（III）氯仿溶剂化物
Acta Crystallogr C. 2001 Sep;57(Pt 9):1046-7. doi: 10.1107/s0108270101009842. Epub 2001 Sep 11.
9
Factors affecting the electronic ground state of low-spin iron(III) porphyrin complexes.影响低自旋铁（III）卟啉配合物电子基态的因素。
Inorg Chem. 2001 Jul 2;40(14):3423-34. doi: 10.1021/ic001412b.
10
Atomic model of plant light-harvesting complex by electron crystallography.通过电子晶体学解析的植物光捕获复合体原子模型。
Nature. 1994 Feb 17;367(6464):614-21. doi: 10.1038/367614a0.

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验