NDLI: Synthesis, Structural Investigation and DFT Calculations of Cadmium (II) Fluorine-Substituted β-Diketonate: A Precursor to Producing Pure Phase Nano-Sized Cadmium (II) Oxide

Content Provider	Springer Nature Link
Author	Hanifehpour, Younes Mirtamizdoust, Babak Joo, Sang Woo
Copyright Year	2011
Abstract	A novel aza-aromatic base adduct of a cadmium(II) fluorine-substituted β-diketonate, [Cd(dmp)(ttfa)$_{2}$]$_{n}$(1), (“dmp” is an abbreviation for 2,9-dimethyl-1,10-phenanthroline and “ttfa” is an abbreviation for thenoyltrifluoroacetonate) was synthesised and characterised by elemental analysis and IR, $^{1}$H NMR and $^{13}$C NMR spectroscopy and studied by thermal as well as X-ray crystallography. The single-crystal structure of this complex shows that the coordination number of the Cd$^{2+}$ ion is six with two N-donor atoms from the dmp ligand and four O-donors from ttfa. Self-assembly of this complex was mediated by CH···F–C and π–π stacking interactions. The supramolecular features of these complexes are controlled by weak directional intermolecular interactions. The structural energy of the title complex was determined by density functional theory calculations. The calculated HOMO–LUMO gap is 0.131 a.u. (3.474 eV). The CdO nano-particles were obtained by thermolysis of 1 at 180 °C with oleic acid as the surfactant. Scanning electron microscopy showed that the size of the CdO particles is ~35 nm.
Starting Page	816
Ending Page	821
Page Count	6
File Format	PDF
ISSN	15741443
Journal	Journal of Inorganic and Organometallic Polymers and Materials
Volume Number	22
Issue Number	4
e-ISSN	15741451
Language	English
Publisher	Springer US
Publisher Date	2011-12-06
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Cadmium Nano-oxide Crystal structure Inorganic Chemistry Polymer Sciences Organic Chemistry
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Polymers and Plastics

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