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Two‐Coordinate Cu(I) and Au(I) Complexes Supported by BICAAC and CAAC Ligands
Author(s) -
Manar Krishna K.,
Chakrabortty Soumyadeep,
Porwal Vishal Kumar,
Prakash Darsana,
Thakur Sandeep Kumar,
Choudhury Angshuman Roy,
Singh Sanjay
Publication year - 2020
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202002295
Subject(s) - homoleptic , carbene , chemistry , crystallography , alkyl , crystal structure , metal , covalent bond , single crystal , stereochemistry , catalysis , organic chemistry
Two‐coordinate Cu(I) and Au(I) complexes supported by bicyclic (alkyl)(amino)carbene, [BICAAC‐CuCl] ( 1 ), [BICAAC‐CuI] ( 2 ), [(BICAAC) 2 Cu] + [PF 6 ] – ( 3 ) and [(BICAAC) 2 Au] + [AuCl 2 ] – ( 6 ) have been synthesized. The reaction of cyclic (alkyl)(amino)carbene, CAAC cy with CuCl afforded [CAAC cy ‐CuCl] ( 4 ) and its further reaction with KPF 6 gave [(CAAC cy ) 2 Cu] + [PF 6 ] – ( 5 ). Complexes 1–6 have been characterized by multinuclear NMR, IR and UV‐Vis., spectroscopic method and high‐resolution mass spectrometry (HRMS). Single crystal X‐ray structure of heteroleptic complexes 1 and 4 and homoleptic complexes [(BICAAC) 2 Cu] + [CuI 2 ] – ( 2’ ), 3 and 6 have also been determined. The crystal structure of these complexes confirmed linear two‐coordinate geometry around the metal centers. In the solid‐ state, complexes 1 , 2 ’, 4 and 6 displayed C−H⋯M (M=Cu, Au) and weak non‐covalent C−H⋯X (X=Cl, I) and C−H⋯H−C interactions. Computational calculations correlate well to the experimentally observed geometry and help elucidate the absorption characteristics type of transitions and the frontier orbitals involved in them.