Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study

Abstrakti
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.
Päätekijät
Aineistotyyppi
Artikkelit Tutkimusartikkeli
Julkaistu
2015
Sarja
Aiheet
Julkaisu tutkimustietojärjestelmässä
Julkaisija
R S C Publications
Julkaisun pysyvä osoite
https://urn.fi/URN:NBN:fi:jyu-201509082835Käytä tätä linkitykseen
Vertaisarvioinnin tila
Vertaisarvioitu
ISSN
2046-2069
DOI
https://doi.org/10.1039/C5RA13960K
Kieli
englanti
Julkaisussa
RSC Advances: an international journal to further the chemical sciences
Viite
  • 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
Lisenssi
CC BY-NC 4.0Open Access
Copyright© The Royal Society of Chemistry 2015

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