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CTMC（5,7,12,14-四甲基-1,4,8,11-四氮杂环十四烷）的二氯合三价铁几何异构体配合物。

Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane).

机构信息

Department of Chemistry, Purdue University, 560 Oval Dr., W. Lafayette, IN 47907-2084, USA.

出版信息

Acta Crystallogr C Struct Chem. 2022 Sep 1;78(Pt 9):507-514. doi: 10.1107/S205322962200849X. Epub 2022 Aug 30.

DOI:10.1107/S205322962200849X
PMID:36063378
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9444021/
Abstract

Both trans and cis iron-CTMC complexes, namely, trans-dichlorido[(5SR,7RS,12RS,14SR)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) tetrachloridoferrate, [Fe(CHN)Cl][FeCl] (1a), the analogous chloride methanol monosolvate, [Fe(CHN)Cl]Cl·CHOH (1b), and cis-dichlorido[(5SR,7RS,12SR,14RS)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride, [Fe(CHN)Cl]Cl (2), were successfully synthesized and structurally characterized using X-ray diffraction. The coordination geometry of the macrocycle is dependent on the stereoisomerism of CTMC. The packing of these complexes appears to be strongly influenced by extensive hydrogen-bonding interactions, which are in turn determined by the nature of the counter-anions (1a versus 1b) and/or the coordination geometry of the macrocycle (1a/1b versus 2). These observations are extended to related ferric cis- and trans-dichloro macrocyclic complexes.

摘要

均相和反相铁-CTMC 配合物，即反式-二氯代[(5SR,7RS,12RS,14SR)-5,7,12,14-四甲基-1,4,8,11-四氮杂环十四烷]铁(III)四氯代铁酸盐，[Fe(CHN)Cl][FeCl]（1a），类似的氯化物甲醇单水合物，[Fe(CHN)Cl]Cl·CHOH（1b）和反式-二氯代[(5SR,7RS,12SR,14SR)-5,7,12,14-四甲基-1,4,8,11-四氮杂环十四烷]铁(III)氯化物，[Fe(CHN)Cl]Cl（2），使用 X 射线衍射成功合成并进行了结构表征。大环的配位几何形状取决于 CTMC 的立体异构。这些配合物的堆积似乎受到广泛氢键相互作用的强烈影响，氢键相互作用反过来又取决于抗衡阴离子的性质（1a 对 1b）和/或大环的配位几何形状（1a/1b 对 2）。这些观察结果扩展到相关的铁(II)顺式和反式二氯代大环配合物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/9fbf7efb4145/c-78-00507-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/b8e279091233/c-78-00507-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/df92be243f99/c-78-00507-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/12db3ac13381/c-78-00507-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/a65878dc676d/c-78-00507-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/7e74a1a5bd71/c-78-00507-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/acb9a3a7aa34/c-78-00507-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/8fedc2b64fd5/c-78-00507-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/ba4485bc6182/c-78-00507-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/a775a0c5d006/c-78-00507-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/9fbf7efb4145/c-78-00507-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/b8e279091233/c-78-00507-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/df92be243f99/c-78-00507-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/12db3ac13381/c-78-00507-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/a65878dc676d/c-78-00507-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/7e74a1a5bd71/c-78-00507-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/acb9a3a7aa34/c-78-00507-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/8fedc2b64fd5/c-78-00507-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/ba4485bc6182/c-78-00507-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/a775a0c5d006/c-78-00507-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c05/9444021/9fbf7efb4145/c-78-00507-fig10.jpg

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