https://eutils.ncbi.nlm.nih.gov/entrez/eutils/efetch.fcgi?db=pubmed&id=32964504&retmode=xml&tool=Litmetric&email=readroberts32@gmail.com&api_key=61f08fa0b96a73de8c900d749fcb997acc09 3296450420240330
1521-376526712020Dec18Chemistry (Weinheim an der Bergstrasse, Germany)ChemistryGroup 6 Hexacarbonyls as Ligands for the Silver Cation: Syntheses, Characterization, and Analysis of the Bonding Compared with the Isoelectronic Group 5 Hexacarbonylates.172031721117203-1721110.1002/chem.202003934The syntheses of the two novel complexes [Ag{Mo/W(CO)6 }2 ]+ [F-{Al(ORF )3 }2 ]- (RF =C(CF3 )3 ) are reported along with their structural and spectroscopic characterization. The X-ray structure shows that three carbonyl ligands from each M(CO)6 fragment bend towards the silver atom within binding Ag-C distance range. DFT calculations of the free cations [Ag{M(CO)6 }2 ]+ (M=Cr, Mo, W) in the electronic singlet state give equilibrium structures with C2 symmetry with two bridging carbonyl groups from each hexacarbonyl ligand. Similar structures with C2 symmetry (M=Nb) and D2 symmetry (M=V, Ta) are calculated for the isoelectronic group 5 anions [Ag{M(CO)6 }2 ]- (M=V, Nb, Ta). The electronic structure of the cations is analyzed with the QTAIM and EDA-NOCV methods, which provide detailed information about the nature of the chemical bonds between Ag+ and the {M(CO)6 }2 q (q = -2, M = V, Nb, Ta; q = 0, M = Cr, Mo, W) ligands.© 2020 The Authors. Published by Wiley-VCH GmbH.BohnenbergerJanJInstitut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstrasse 21, 79104, Freiburg, Germany.KratzertDanielDInstitut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstrasse 21, 79104, Freiburg, Germany.GorantlaSai Manoj N V TSMNVTFachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032, Marburg, Germany.PanSudipSFachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032, Marburg, Germany.FrenkingGernotG0000-0003-1689-1197Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032, Marburg, Germany.Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for, Advanced Materials, Nanjing Tech University, Nanjing, 211816, P. R. China.KrossingIngoI0000-0002-7182-4387Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstrasse 21, 79104, Freiburg, Germany.engDeutsche Forschungsgemeinschaft DFGJournal Article20201126
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