Crystal Structures of 1,2-bis[(2,6-Dibenzhydryl-4-Methylphenyl)Imino]Acenaphthene

被引：6

作者：

Moskalev, M., V ^{[1
]}

Razborov, D. A. ^{[1
]}

Koptseva, T. S. ^{[1
]}

Skatova, A. A. ^{[1
]}

Rumyantcev, R., V ^{[1
]}

Fedushkin, I. L. ^{[1
]}

机构：

[1] Russian Acad Sci, Razuvaev Inst Organometall Chem, Nizhnii Novgorod, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2020年 / 61卷 / 02期

关键词：

1; 2-bis(arylimino)acenaphthenes; redox-active ligands; sterically hindered ligands; crystal structure; ALPHA-DIIMINE NICKEL; MOLECULAR-STRUCTURES; LIGAND; ETHYLENE; COMPLEXES; CATALYSTS; ZINC; POLYMERIZATION; SUBSTITUENTS; TEMPERATURE;

D O I：

10.1134/S002247662002016X

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

By crystallization of sterically hindered 1,2-bis[(2,6-dibenzhydryl-4-methylphenyl)imino]acenaphthene (dbhmp-bian)(1)from tetrahydrofuran (THF) or acetone two crystalline forms of (dbhmp-bian)(THF)(3)(1a)and dbhmp-bian(1b)are isolated and structurally characterized. In DFT calculations (B3LYP/6-31G(d) level), no significant differences between the electronic structures of1and some other Ar-bian ligands (Ar = 2,6-Me-2-C6H3; 2,6-Et-2-C6H3; 2,6-iPr(2)-C6H3) are revealed. HOMO and LUMO energies of these compounds are in the ranges -5.60 eV horizontal ellipsis -5.51 eV and -2.07 eV horizontal ellipsis -2.04 eV respectively. The geometric parameters of the diimine moiety of the ligands obtained from DFT calculations and XRD data are almost identical.

引用

页码：309 / 315

页数：7

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