Dinuclear silver(I)- and gold(I)- N heterocyclic carbene complexes; Synthesis, structural characterizations, photoluminescence and theoretical studies

被引：4

作者：

Mondal, Ambarish ^{[1
]}

Sahu, Priyanka ^{[1
]}

Kisan, Hemanta K. ^{[1
]}

Isab, Anvarhusein A. ^{[2
]}

Chandra, Swapan K. ^{[3
]}

Dinda, Joydev ^{[1
]}

机构：

[1] Utkal Univ, Dept Chem, Bhubaneswar, Odisha, India

[2] King Fahd Univ Petr & Minerals, Dept Chem, Dhahran 31261, Saudi Arabia

[3] Visva Bharati Univ, Dept Chem, Santini Ketan 731235, West Bengal, India

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2023年 / 1274卷

关键词：

Imidazolidine; Silver(I)-NHC complex; Gold(I)-NHC complex; Transmetallation reaction; Binuclear complex; DFT-TDDFT studies; BASIS-SETS; LUMINESCENT SILVER(I); NHC; AG(I); AU(I); DISPROPORTIONATION; SEPARATIONS; APOPTOSIS; DESIGN; LIGAND;

D O I：

10.1016/j.molstruc.2022.134430

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Herein, a new family of cationic Ag(I)-and Au(I)-, complexes ligated to a novel C boolean AND N donor N -heterocyclic carbene (NHC) ligand 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolin-2-ylidene, (1) are described. Compound 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolium hexafluorophosphate (1.HPF6) essentially serves as a carbene precursor that delivers the NHC carbene to Ag(I) and Au(I). The corre-sponding complex [{Ag(1)}{PF6 }] 2 ,(2), was prepared using mild base Ag2O and 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolium hexafluorophosphate (1.HPF6). Transmetallation method was capitalized to synthesize [{Au(1)}{PF6 }] 2, (3). All the novel compounds were characterized by elemental analysis, 1 H NMR, 13 C NMR, HR mass spectroscopic studies, and finally by single crystal X-ray studies. X-ray crystallo-graphic studies revealed that the dinuclear complex 2 and 3 adopt linear geometry (Ccarbene-Ag/Au-Nimi) where strong Ag-Ag and Au-Au interaction present. The structural assignments were further supported by DFT calculations. TDDFT studies have been performed to inside into the electronic properties. (c) 2022 Elsevier B.V. All rights reserved.

引用

页数：10

共 50 条

[31] N-heterocyclic carbenes (NHC) with 1,2,4-oxadiazole-substituents related to natural products: Synthesis, structure and potential antitumor activity of some corresponding gold(I) and silver(I) complexes [J].