TY - JOUR
T1 - Mixed ligand copper(I) complexes with alkynyl functionalized iminopyridine and substituted ethynylpyridine ligands: Synthesis, photophysical properties and DFT studies
AU - Chavan, Sanjay S.
AU - Jadhav, Amita N.
AU - Mane, Manoj Vasisht
N1 - KAUST Repository Item: Exported on 2023-08-29
Acknowledgements: ANJ acknowledges the University Grants Commission (UGC), New Delhi, India for a Senior Research Fellowship (SRF).
PY - 2023/8/17
Y1 - 2023/8/17
N2 - A series of mixed ligand copper(I) complexes of the formula [Cu(L1–3)(NC5H4C[tbnd]CH) (PPh3)]PF6 (1a-c), [Cu(L1–3)(NC5H4C[tbnd]CC6H4OCH3)(PPh3)]PF6 (2a-c) and [Cu(L1–3) (NC5H4 C[tbnd]CC6H4NO2)(PPh3)]PF6 (3a-c) have been synthesized by the reaction of [Cu(CH3CN)3 (PPh3)]PF6 with N-(2-pyridylmethylene)-4-(trimethylsilylethynyl)aniline (L1), N-(2-pyridylmethylene)-4-(ethynyl)aniline (L2) and N-(2-pyridylmethylene)-4-(phenylethynyl)aniline (L3) in presence of NC5H4C[tbnd]HNC5H4C[tbnd]CC6H4OCH3 and NC5H4C[tbnd]C C6H4NO2. All the complexes have been characterized on the basis of their elemental analyses, IR, 1H NMR, 31P NMR, and TGA-DTA studies. Electrochemical data demonstrate quasireversible redox behavior for all copper(I) complexes. Photophysical properties of all copper(I) complexes indicate that increase in π-conjugation and donor/acceptor substituents on coordinated ligands show a marked effect on the absorption and emission properties of the complexes. DFT computations were performed to gain insight into the effect of the donor/acceptor moiety of coordinated ligands on the HOMO-LUMO gap of the copper(I) complexes.
AB - A series of mixed ligand copper(I) complexes of the formula [Cu(L1–3)(NC5H4C[tbnd]CH) (PPh3)]PF6 (1a-c), [Cu(L1–3)(NC5H4C[tbnd]CC6H4OCH3)(PPh3)]PF6 (2a-c) and [Cu(L1–3) (NC5H4 C[tbnd]CC6H4NO2)(PPh3)]PF6 (3a-c) have been synthesized by the reaction of [Cu(CH3CN)3 (PPh3)]PF6 with N-(2-pyridylmethylene)-4-(trimethylsilylethynyl)aniline (L1), N-(2-pyridylmethylene)-4-(ethynyl)aniline (L2) and N-(2-pyridylmethylene)-4-(phenylethynyl)aniline (L3) in presence of NC5H4C[tbnd]HNC5H4C[tbnd]CC6H4OCH3 and NC5H4C[tbnd]C C6H4NO2. All the complexes have been characterized on the basis of their elemental analyses, IR, 1H NMR, 31P NMR, and TGA-DTA studies. Electrochemical data demonstrate quasireversible redox behavior for all copper(I) complexes. Photophysical properties of all copper(I) complexes indicate that increase in π-conjugation and donor/acceptor substituents on coordinated ligands show a marked effect on the absorption and emission properties of the complexes. DFT computations were performed to gain insight into the effect of the donor/acceptor moiety of coordinated ligands on the HOMO-LUMO gap of the copper(I) complexes.
UR - http://hdl.handle.net/10754/693088
UR - https://linkinghub.elsevier.com/retrieve/pii/S0022286023015132
UR - http://www.scopus.com/inward/record.url?scp=85168424684&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2023.136423
DO - 10.1016/j.molstruc.2023.136423
M3 - Article
SN - 0022-2860
VL - 1294
SP - 136423
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
ER -