Synthesis and Structure of the Mononuclear Zinc Complex with 4-Biphenylcarboxylate Anions and 1,10-Phenanthroline

被引：2

作者：

Samulionis, A. S. ^{[1
]}

Melnikov, S. N. ^{[1
]}

Pavlov, A. A. ^{[2
,3
]}

Starikova, A. A. ^{[4
]}

Gogoleva, N. V. ^{[1
]}

Nikolaevskii, S. A. ^{[1
]}

Kiskin, M. A. ^{[1
]}

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

机构：

[1] Russian Acad Sci, Kurnakov Inst Gen & Inorgan Chem, Moscow, Russia

[2] Bauman Moscow State Tech Univ, Moscow, Russia

[3] Russian Acad Sci, Nesmeyanov Inst Organoelement Cpds, Moscow, Russia

[4] Southern Fed Univ, Inst Phys & Organ Chem, Rostov Na Donu, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2024年 / 65卷 / 01期

关键词：

zinc(II) complexes; carboxylates; molecular structure; quantum chemical calculations; density functional theory (DFT); METAL-IONS; CRYSTAL-STRUCTURES; FEATURES; ACID; ARCHITECTURES; BEHAVIOR; CADMIUM;

D O I：

10.1134/S0022476624010062

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A mononuclear complex [Zn(phbz) (2)(phen)] (1, Hphbz = 4-biphenylcarboxylic acid, phen is 1,10-phenanthroline) is obtained, and its structure is determined by single crystal X-ray diffraction (XRD). It is additionally characterized by powder XRD, IR and NMR spectroscopy. The theoretic simulation (DFT B3LYP/Def2-TZVP) of the dimerization process of the complex shows that one of the reasons for the lack of experimental detection of dimeric structures of this type may be a low stabilization energy of the hypothetical binuclear compound [Zn (2)(phbz) 4(phen) (2)].

引用

页码：63 / 74

页数：12

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