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Dinuclear Tin(II) Complex of a Bulky cis ‐Oxamide: Synthesis, Characterization, Crystal Structure, and DFT Studies
Author(s) -
IbarraRodríguez Marisol,
Rasika Dias H. V.,
JiménezPérez Víctor M.,
MuñozFlores Blanca M.,
FloresParra Angelina,
Sánchez Sonia
Publication year - 2012
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201200212
Subject(s) - oxamide , chemistry , tin , crystallography , stereochemistry , organic chemistry
The reaction of the di‐lithiated oxamide of 1 with two equivalents of SnCl 2 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 119 Sn‐NMR variable temperature experiment ([D 8 ]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 .