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Thermally stable carbazole tagged Au(i)-mesoionic N-heterocyclic carbene complexes with diverse gold-hydrogen bonds
S. Kalaivanan, V. Moulali, K. Siddhant, K. Velappan, K. Hisano, O. Tsutsumi,
Published in Royal Society of Chemistry
2022
Volume: 47
   
Issue: 1
Pages: 491 - 499
Abstract
Carbazole-substituted N-heterocyclic carbene (NHC)-gold complexes have exhibited diverse structural features and interesting thermal properties. The role of the remotely linked carbazole group to mesoionic carbene in gold(i)-NHC complexes has been addressed in this paper. Thus, we have synthesized and characterized neutral gold-mesoionic carbene monomers tagged with carbazole groups. The mononuclear gold(i)-carbene complexes [(L1)AuCl] (1) and [(L2)AuCl] (2), where L1.HI = 1-(naphth-1-yl)-3-methyl-4-(carbazolylmethyl)-1,2,3-triazolium iodide and L2.HI = 1-(mesityl)-3-methyl-4-(carbazolylmethyl)-1,2,3-triazolium iodide, were synthesized and characterized. This new class of complexes exhibited interesting gold-hydrogen bonding. In addition, the thermal properties of 1 and 2 were investigated. Density functional theory (DFT) calculations and natural bond orbital (NBO) analysis were carried out on a model system, [(L′)AuCl] (1A), where L′ = 1-phenyl-4-methyl-carbazole-1,2,3-triazol-ylidene, to realize the bonding situations. The calculated metrics agreed reasonably well with the experimental observations. © 2023 The Royal Society of Chemistry.
About the journal
JournalNew Journal of Chemistry
PublisherRoyal Society of Chemistry
ISSN11440546