Investigation of syntheses, structures, theoretical calculations, and fluorescence properties of two N3O-donor half-salamo-type Cu(II) complexes

• Published in: Journal of coordination chemistry Vol. 75; no. 19-24; pp. 2798 - 2813
• Main Authors: Man, Li-Li, La, Ya-Ting, Feng, Le-Chuan, Zhang, Yang, Dong, Wen-Kui
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 17-12-2022; Taylor & Francis Ltd
• Subjects: cleavage; crystal structure; Crystallography; Cu(II) complex; Fluorescence; Half-salamo-type ligand; Hirshfeld surface analysis; Ligands; Mathematical analysis; Quinoline
• ISSN: 0095-8972; 1029-0389
• DOI: 10.1080/00958972.2022.2147000

The coordination behaviors of asymmetric quinoline-decorated half-salamo-type ligand HL
1
with Cu(NO
3
)
2
·3H
2
O and Cu(OAc)
2
·H
2
O were studied. Two Cu(II) complexes, [Cu(L
1
)(NO
3
)]·CH
3
CH
2
OH (1) and [Cu
2
(L
2
)
2
] (2), were isolated and characterized by X-ray crystallography, FTIR, UV-vis, and fluorescence spectroscopies. Structural analyses showed that 1 is a mononuclear species, whereas 2 is a binuclear entity. Spontaneous cleavage along the oxime N-O bond close to quinoline ring of the ligand HL
1
occurred upon reaction with Cu(OAc)
2
·H
2
O, yielding an unexpected complex 2. Moreover, DFT theoretical calculations and Hirshfeld surfaces analyses of the ligand HL
1
and its corresponding Cu(II) complexes were investigated in detail.