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Synthesis, Spectroscopic Characterization, DFT Calculations, and Dynamic Behavior of Mononuclear Macrocyclic Diorganotin(IV) Bis‐Dithiocarbamate Complexes
Author(s) -
TlahuextAca Adrian,
Höpfl Herbert,
MedranoValenzuela Felipe,
GuerreroAlvarez Jorge,
Tlahuext Hugo,
Ochoa Lara Karen,
ReyesMárquez Viviana,
Tlahuextl Margarita
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.201200099
Subject(s) - dithiocarbamate , chemistry , carbon 13 nmr , elemental analysis , mass spectrometry , quantum chemical , proton nmr , molecule , nuclear magnetic resonance spectroscopy , computational chemistry , medicinal chemistry , stereochemistry , organic chemistry , chromatography
Nine mononuclear diorganotin(IV) dithiocarbamate complexes 1 – 9 with 19‐, 20‐ and 21‐membered macrocyclic structures were synthesized from dimethyl, di‐ n ‐butyl, and diphenyltin(IV) dichloride and three bis‐dithiocarbamate ligands derived from secondary bis‐amines having aromatic spacer groups. All compounds were characterized by elemental analysis, mass spectrometry, and spectroscopic methods (IR and 1 H, 13 C, and 119 Sn NMR). Additionally, quantum chemical DFT calculations were performed for the dimethyltin(IV) derivatives in order to model the molecular structures. For one compound series the NMR spectra showed a concentration‐dependent behavior in solution, which was analyzed in detail and permitted to postulate the existence of an equilibrium with the corresponding [2+2] macrocycles.