Experimental and theoretical studies on the structure and spectroscopic properties of N-scorpionate complexes obtained from metallic cobalt in a one pot synthesis

Adach, Anna; Daszkiewicz, Marek; Barszcz, Bolesław

doi:10.1016/j.poly.2015.03.040

Cited by 17 publications

(20 citation statements)

References 51 publications

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“…Contrary to our previous work [13][14][15] , the zerovalent metal (powdered chromium) present in the reacting system does not appear in the final product. Contrary to our previous work [13][14][15] , the zerovalent metal (powdered chromium) present in the reacting system does not appear in the final product.…”

Section: Resultscontrasting

confidence: 94%

“…8 Moreover, many pyrazolyl complexes have been prepared and probed for therapeutic actions across a spectrum of diseases and anticancer properties comparable with cis-dichlorodiamineplatinium(II) (cisplatin). Unexpectedly, in contrast to the earlier study with zerovalent cobalt [10][11][12][13]15 and nickel 14 chromium was absent in the composition of the isolated product from the [Cr 0 -VOSO 4 -NH 4 SCN-pyrazole derivative (L)] system. [7][8][9] In our systematic studies on the oxidation of implant metals in the presence of biologically important compounds, we have explored the systems containing 1hydroxymethyl-3,5-dimethylpyrazole (L) as one of the substrates.…”

Section: Introductioncontrasting

confidence: 85%

“…[10][11][12][13][14][15] The reagents: VOSO 4 ·5H 2 O, 1-hydroxymethyl-3,5-dimethylpyrazole, NH 4 SCN and metallic chromium powder (325 mesh) were used in 1: 2:6:1 molar ratio, respectively. [10][11][12][13][14][15] The reagents: VOSO 4 ·5H 2 O, 1-hydroxymethyl-3,5-dimethylpyrazole, NH 4 SCN and metallic chromium powder (325 mesh) were used in 1: 2:6:1 molar ratio, respectively.…”

Section: Synthesismentioning

confidence: 99%

“…Vanadyl complexes with N-donor ligands such as a pyrazole derivatives have shown very interesting biochemical and pharmacological properties such as insulin-mimetic properties 5 , as well as antiparasitic 3d and antitumour ones. [10][11][12][13][14][15] N-substitued pyrazole derivatives such as N,N-bis(pyrazolylmethyl)amines are pincer ligands and analogues of poly(pyrazolyl)borates, called scorpionates. 8 Moreover, many pyrazolyl complexes have been prepared and probed for therapeutic actions across a spectrum of diseases and anticancer properties comparable with cis-dichlorodiamineplatinium(II) (cisplatin).…”

Section: Introductionmentioning

confidence: 99%

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New oxovanadium(iv) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity

et al. 2015

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Experimental and theoretical studies on the structure and spectroscopic properties of two complexes: [VOL 1 (NCS) 2 ] (1) and [VOL 1 (NCS) 2 ]·C 6 H 5 CH 3 (2) where L 1 -bis(3,5dimethylpyrazol-1-ylmethyl)amine have been reported.The products, isolated in one-pot synthesis, contain multipodal pincer ligand L 1 obtained in situ from the system containing 1-hydroxymethyl-3,5-dimethylpyrazole (L) as one of the substrates. The crystal structure, electronic (UV-VIS) and infrared (IR) spectra of the complexes have been analyzed. The combined use of experiments and computations allowed a firm assignment of the majority of the observed electronic and vibrational transitions.Theoretical (DFT) calculations have been carried out at the B3LYP/LanL2DZ level to investigate the geometry of 1 and 2. They were found to be in a good agreement with the experimental results. Additionally biological activity of complex 2 was investigated. The complex 2 exhibited anti-proliferative activity towards panel of human cancer cells (hepatocellular carcinoma Hep G2, lung carcinoma A549, colorectal adenocarcinomas SW 480 and SW 620). The anti-proliferative potency of complex 2 and its higher selectivity towards cancer cells than those of the vanadium salt tested, makes it an interesting candidate for further investigation of its anti-cancer properties. * AbstractExperimental and theoretical studies on the structure and spectroscopic properties of two complexes: [VOL 1 (NCS) 2 ] (1) and [VOL 1 (NCS) 2 ]·C 6 H 5 CH 3 (2) where L 1 -bis(3,5dimethylpyrazol-1-ylmethyl)amine have been reported.The products, isolated in one-pot synthesis, contain multipodal princer ligand L 1 obtained in situ from the system containing 1-hydroxymethyl-3,5-dimethylpyrazole (L) as one of the substrates. The crystal structure, electronic (UV-VIS) and infrared (IR) spectra of the complexes have been analyzed. The combined use of experiments and computations allowed a firm assignment of the majority of the observed electronic and vibrational transitions.Theoretical (DFT) calculations have been carried out at the B3LYP/LanL2DZ level to investigate the geometry of 1 and 2. They were found to be in a good agreement with the experimental results. Additionally biological activity of complex 2 was investigated. The complex 2 exhibited anti-proliferative activity towards panel of human cancer cells (hepatocellular carcinoma Hep G2, lung carcinoma A549, colorectal adenocarcinomas SW 480 and SW 620). The anti-proliferative potency of complex 2 and its higher selectivity towards cancer cells than those of the vanadium salt tested, makes it an interesting candidate for further investigation of its anti-cancer properties. Fig.2. Normalized Hirshfeld surface around the [VOL 1 (NCS) 2 ] molecules (a) in 1 and (b) in 2. Chain patterns created (c) by hydrogen bonds in 1 and (d) by C-H···π interactions in 2.

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Section: Resultscontrasting

confidence: 94%

Section: Introductioncontrasting

confidence: 85%

Section: Synthesismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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New oxovanadium(iv) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity

et al. 2015

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“…Scorpionate complexes are some of the most interesting and recently widely studied . Although scorpionate ligands are usually tridentate, the term ‘scorpionate’ has been also used for cyclams containing nitrophenyl or nitrobenzyl substituents.…”

Section: Introductionmentioning

confidence: 99%

Scorpionate complexes of aza-18-crown-6 containing fluoronitrophenyl substituents as studied by electrospray ionization mass spectrometry

Frański

Onyszkiewicz

Gierczyk

2017

Rapid Commun Mass Spectrom

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Recent Advances in Direct Synthesis of Organometallic and Coordination Compounds

Chandrashekhar

Flores

Jiménez-Pérez

2018

Direct Synthesis of Metal Complexes

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Experimental and theoretical studies on the structure and spectroscopic properties of N-scorpionate complexes obtained from metallic cobalt in a one pot synthesis

Cited by 17 publications

References 51 publications

New oxovanadium(iv) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity

New oxovanadium(iv) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity

Scorpionate complexes of aza-18-crown-6 containing fluoronitrophenyl substituents as studied by electrospray ionization mass spectrometry

Recent Advances in Direct Synthesis of Organometallic and Coordination Compounds

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