Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study
Das, M., Ghosh, B. N., Bauzá, A., Rissanen, K., Frontera, A., & Chattopadhyay, S. (2015). Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study. RSC Advances: an international journal to further the chemical sciences, 5(89), 73028-73039. https://doi.org/10.1039/C5RA13960K
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RSC Advances: an international journal to further the chemical sciencesTekijät
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2015Tekijänoikeudet
© The Royal Society of Chemistry 2015
Two mononuclear cobalt(III) Schiff base complexes with azide [Co(L)(N3)(L0
)] (1) and [Co(L)(N3)(L00)] (2) {where
HL ¼ 1-((2-(diethylamino)ethylimino)methyl)naphthalene-2-ol, HL0 ¼ 2-hydroxy-1-naphthaldehyde and
HL00 ¼ acetylacetone} have been synthesized and characterized by elemental analysis, IR and UV-Vis
spectroscopy and single crystal X-ray diffraction studies. Both complexes show mononuclear structures
with azide as terminal coligand. Structural features have been examined in detail that reveal the
formation of interesting supramolecular networks generated through non-covalent forces including
hydrogen bonding, C–H/H–C and C–H/p interactions. These interactions have been studied
energetically by means of theoretical DFT calculations. We have also analyzed the unexpected O/O
interactions observed in one complex between the oxygen atoms of the coordinated aldehyde groups
using several computational tools, including Bader's “atoms-in-molecules” (AIM) and natural bond orbital
(NBO) analyses.
...
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