Azoimidazole gold(III) complexes: Synthesis, structural characterization and self-assembly in the solid state

Preparation of novel triarylazoimidazole trichlorogold(III) complexes is described. The new compounds were characterized using C, H, N elemental analyses, IR, UV/Vis and X-ray diffraction analysis. Structural characterization revealed that the distances N(imidazolic)···Au (2.030 Å (4) and 2.037 Å (5)) are significantly shorter than N(azo group)···Au (2.853 Å (4) and 2.899 Å (5)) indicating that the azo group is rather weakly coordinated at the Au(III) metal center. Thus, triarylazoimidazole trichlorogold(III) complexes could be described as square planar gold(III) complexes with weakly binding to the gold(III) center azogroup. Non-covalent chlorine···chlorine interactions were detected for 5 in the solid state and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method). Theoretical studies demonstrated that short non-covalent Cl···Cl interactions (3.202 Å) play crucial role in self-assembly of high-valent Au(III) chloride. © 2021 Elsevier B.V.

Tskhovrebov A.G. 1, 2 , Novikov A.S.3 , Tupertsev B.S. 1 , Nazarov A.A. 4 , Antonets A.A.4 , Astafiev A.A.1 , Kritchenkov A.S. 2 , Kubasov A.S.5 , Nenajdenko V.G. 4 , Khrustalev V.N. 2, 6
  • 1 N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Ul. Kosygina 4, Moscow, Russian Federation
  • 2 Peoples’ Friendship University of Russia, 6 Miklukho-Maklaya Street, Moscow, 117198, Russian Federation
  • 3 Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg, 199034, Russian Federation
  • 4 M. V. Lomonosov Moscow State University, Leninskie Gory 1, Moscow, Russian Federation
  • 5 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, Moscow, Russia Federation
  • 6 N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prosp, Moscow, Russian Federation
Ключевые слова
Azoimidazoles; Gold(III); Halogen-halogen interactions; Heterocycles; Non-covalent interactions; Supramolecular polymers
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