322637-99-0Relevant articles and documents
{Ru(CO)x}-core terpyridine complexes: Lysozyme binding affinity, DNA and photoinduced carbon monoxide releasing properties
Mansour, Ahmed M.,Shehab, Ola R.
, p. 406 - 414 (2018)
Reaction of 4′-(2-pyridyl)-2,2′:6′,2″-terpyridine (LPY) and 4′-(4-phenylmorpholine)-2,2′:6′,2″-terpyridine (Lmorph) with {[RuCl2(CO)3]}2 in methanol affords [RuCl2(LPY-κ2N1N2)(CO)2] (1) and a mixture of [RuCl2(Lmoph-κ2N1N2)(CO)2]/[RuCl2(Lmorph-κ3N1N2N3)(CO)] (2), respectively. Their photoactivatable CO releasing properties are investigated upon the exposure to light source at 365 nm. One CO molecule is released from 1 at the excitation wavelength 365 nm, while the ligand changes its bidentate mode into the meridional tridentate one. The illumination profile and the influence of the uncoordinated pyridine arm on CO release are examined by solution 1H and 13C NMR spectroscopy. The electronic transitions are studied by TDDFT. The DNA and hen white egg lysozyme binding affinity of the complexes are studied by UV/Vis. and electrospray ionization mass spectrometry. Stable lysozyme complexes, capable of photo induce CO, are formed via the loss of the labile chloride ligands or terpyridine moiety.
Terpyridine Zn(II) azide compounds: Spectroscopic and DFT calculations
Mansour, Ahmed M.
, (2021/06/09)
Square-pyramidal Zn(II) azide complexes with the formula of [Znn(N3)2nL] (n = 1; L = 4′-(2-pyridyl)-2,2′:6′,2′'-terpyridine (LPy), 4′-(4-phenylmorpholine)-2,2′:6′,2′'-terpyridine (LMorph), and n = 2; L = 1,4-bis(2,2′:6′,2′'-terpyridin-4′-yl)benzene (LBPY)) were synthesized, and structurally characterized using different spectroscopic and analytical tools. Ground-state geometry optimization and harmonic vibrational analysis were carried out at two different levels of theory (B3LYP/LANL2DZ and CAM-B3LYP/def2-SVP) to gather insights into the local minimum structures. Natural bond orbital (NBO) analyses revealed that the electronic population of the 3d orbitals of Zn(II) ion is corresponding to the oxidation state of Zn(I), not Zn(II), in agreement with the ligand to metal charge transfer. Molecular electrostatic potential energy maps showed that the azido ligand may act as a nucleophile in the cycloaddition coupling with electron poor dipolar molecules. The electronic structure and transitions were investigated by executing time dependent density functional theory (TDDFT) calculations.
Case Study of the Correlation between Metallogelation Ability and Crystal Packing
Khavasi, Hamid Reza,Esmaeili, Maryam
, p. 4369 - 4377 (2019/09/20)
In the present paper, in order to find the correlation between the molecular structure and the intermolecular interaction patterns in the crystalline state and the corresponding gelating or nongelating behavior, two structurally related sets of copper complexes, including (CuCl2[LTerpy2py]), 1, (CuCl2[LTerpy3py]), 2, and (CuCl2[LTerpy4py]), 3, (where LTerpynpy is 4′-(n-pyridyl)-2,2′,6′,2″-terpyridine) as the first set and (CuCl2[Ldipyz-py2py]), 4, (CuCl2[Ldipyz-py3py]), 5, and (CuCl2[Ldipyz-py4py]), 6, (where Ldipyz-pynpy is 4-(n-pyridyl)-2,6-dipyrazin-2-yl-pyridine) as the second one, have been synthesized, and their crystal packing as well as gelating properties have been investigated. Results show that although these two sets are structurally similar the first set forms a metastable hydrogel, while the second one is unable to form a gel. To investigate the reasons, we employed Hirshfeld surface analysis and examined the differences in their packing arrangements, which suggest hydrogen bonding arranged into the three-dimensional network is a preferred mode of packing for the crystalline solid but is unfavorable for gel formation.
