A Hirshfeld surface analysis, crystal structure, and physicochemical studies of a new Cu(II) complex with the 1, 10-phenanthroline ligand. Issue 16 (17th September 2018)

• Record Type: Journal Article
• Authors: Nbili, Wijdene; Kaabi, Kamel; Lefebvre, Frédéric; Fujita, Wataru; Jelsch, Christian; Nasr, Cherif ben
• Is Part Of: Journal of coordination chemistry. Volume 71:Issue 16/18(2018)
• Page Start: 2526
• Page End: 2539
• Publication Date: 2018-09-17
• Subjects: Square pyramidal -- Cu(II) complex -- X-ray diffraction -- coordination compound -- Hirshfeld surface -- 31P MAS-NMR; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2018.1489125
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: The new coordination compound, [Cu(H2 PO4 )2 (C12 N2 H8 )H2 O]·2H2 O, was prepared and characterized by physico-chemical studies. In this monomeric complex, the central Cu(II) atom is in a square pyramidal environment and chelated by two nitrogen atoms of 1, 10-phenanthroline, two dihydrogeno-monophosphate oxygen atoms and one water oxygen atom. Intermolecular interactions were investigated by Hirshfeld surfaces. The 31 P NMR spectrum of this paramagnetic complex displays a relatively sharp peak at 2, 070 ppm. The vibrational absorption bands were identified by infrared spectroscopy. Electronic properties such as HOMO and LUMO energies were derived. Graphical Abstract: