Dinuclear Tin(II) Complex of a Bulky cis‐Oxamide: Synthesis,Characterization, Crystal Structure,and DFT Studies
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| Authors: | Marisol Ibarra‐Rodríguez H V Rasika Dias Dr Víctor M Jiménez‐Pérez Blanca M Muñoz‐Flores Angelina Flores‐Parra Sonia Sánchez |
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| Institution: | 1. Facultad de Ciencias Químicas, Universidad Autónoma de Nuevo León, Ciudad Universitaria, Av. Universidad s/n.Nuevo León, México;2. Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, Texas 76019–0065, USA;3. Departamento de Química, CINVESTAV, A. P. 14–740, C. P. 07000, D. F. México |
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| Abstract: | The reaction of the di‐lithiated oxamide of 1 with two equivalents of SnCl2 provided the tin trans‐oxamide 3 . In solution, spectroscopic analysis suggests exclusively the formation of a trans‐oxamide (trans‐ 3 ). However, the solid state shows an atypical cis‐oxamide (cis‐ 3 ), where the oxamide fragment acts as an anti‐Janus head ligand. An 119Sn‐NMR variable temperature experiment (D8]THF) of the trans‐oxamide (trans‐ 3 ) was performed however, at lower temperature no additional signal was observed, which confirmed the absence of a dynamic equilibrium. Dispersion‐corrected density functional calculations revealed that the cis conformation of this tin(II) oxamide complex is more stable than the trans isomer by 1.4 kcal · mol–1. |
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| Keywords: | Oxamides Tin 119Sn NMR spectroscopy Crystal structure Density functional calculations |
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