Low‐lying singlet excited states of isocyanogen

Ringer, Ashley L.; Sherrill, C. David; King, Rollin A.; Crawford, T. Daniel

doi:10.1002/qua.21586

Cited by 17 publications

(11 citation statements)

References 19 publications

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“…The establish weight losses have been in settlement with the theoretical losses. The thermal evaluation of H 2 Ten has been accounted in the literature [28,39]. TG curve exhibits Phen decomposed at two steps with mass loss 9.02 and 90.98% corresponding to H 2 O and 4C 2 H 2 +C 4 H 2 +N 2 , respectively ( Table 3).…”

Section: Thermal Analysis Studiesmentioning

confidence: 99%

Biological and Spectroscopic Investigations of New Tenoxicam and 1.10-Phenthroline Metal Complexes

et al. 2020

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In the present work, tenoxicam (H2Ten) reacted with Mn(II), Co(II), Ni(II), Cu(II) and Zn (II) ions in the presence of 1.10-phenthroline (Phen), forming new mixed ligand metal complexes. The properties of the formed complexes were depicted by elemental analyses, infrared, electronic spectra, proton nuclear magnetic resonance (1H NMR), mass spectrometry, thermogravimetric (TGA) and differential thermogravimetric (DTG) analysis, molar conductance and magnetic moment. IR spectra demonstrated that H2Ten acted as a neutral bidentate ligand, coordinated to the metal ions via the pyridine-N and carbonyl group of the amide moiety, and Phen through the nitrogen atoms. Kinetic thermodynamics parameters activation energy (E*), enthalpy of activation (ΔH*), entropy of activation (ΔS*), Gibbs, free energy (ΔG*) associated to the complexes have been evaluated. Antibacterial screening of the compounds was carried out in vitro against Clavibacter michiganensis, Xanthomonas campestris and Bacillus megaterium. Antifungal activity was performed in vitro against Monilinia fructicola, Penicillium digitatum and Colletotrichum acutatum. The possible phytotoxic effect of the studied compounds was also investigated on Solanum lycopersicum (tomatoes) and Lepidium sativum (garden cress) seeds. The anticancer activity was screened against cell cultures of HCT-116 (human colorectal carcinoma), HepG2 (human hepatocellular carcinoma) and MCF-7 (human breast adenocarcinoma).

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Section: Thermal Analysis Studiesmentioning

confidence: 99%

Biological and Spectroscopic Investigations of New Tenoxicam and 1.10-Phenthroline Metal Complexes

et al. 2020

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“…The thermal degradation of the 2,2 0 -bipyridine ligand takes place in one degradation stage with maximum temperature of 164°C, accompanied by a weight loss of 99.64 % with an activation energy of 75.70 kJ mol -1 (endothermic) [43,44].…”

Section: Thermal Studiesmentioning

confidence: 99%

Synthesis, spectroscopic characterization, thermal stability and biological studies of mixed ligand complexes of gemifloxacin drug and 2,2′-bipyridine with some transition metals

2015

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The mixed ligand Zn(II), Zr(IV), Pd(II), Ce(IV), Th(IV), and U(VI) complexes of gemifloxacin and N-donor 2,2 0 -bipyridine have been prepared. These complexes have been characterized by elemental, infrared (IR), ultraviolet-visible (UV-Vis), 1 H nuclear magnetic resonance (NMR), mass spectroscopy, thermal, molar conductance and magnetic susceptibility analyses. The infrared spectra indicate that gemifloxacin acts as a bidentate deprotonated ligand bound to the metal through the pyridone oxygen and one carboxylate oxygen, whereas the 2,2 0 -bipyridine coordinates through the two nitrogen atoms. The central metal in each complex is six-coordinate and a slightly distorted octahedral geometry is proposed. The calculated bond length and force constant, F(U=O), in the uranyl complex are 1.751 Å and 641.04 N m -1 , respectively. The thermodynamic parameters are calculated from the thermal analysis curves using the Coats-Redfern and HorowitzMetzger methods. The antibacterial and antifungal activities of the ligand, metal salt and metal complexes have been tested. The data show that the complexes exhibit significant action against some of the four bacterial species but no effect on two species of fungi compared with gemifloxacin. The antitumor activity of the ligands and their complexes has been evaluated against breast (MCF-7) and colon (HCT-116) cancer cells.

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“…The first stage is accompanied by a mass loss of 8.02% and the maximum rate occurs at 95 °C. The second decomposition stage occurs at 278 °C with a mass loss of 91.98% corresponding to the loss of 5C 2 H 2 + C 2 N 2 , with an activation energy 118 kJ/mol.…”

Section: Resultsmentioning

confidence: 96%

Synthesis, Spectral, X‐Ray Diffraction, DFT, and Nematicidal Activity of Mixed Ligand Complexes of Ethyl 2‐(2‐Hydroxybenzylidine)‐Hydrazine Carboxylate and 1,10‐Phenanthroline with Some Transition Metals

Zordok

Sadeek

El‐Farargy

et al. 2017

J Chinese Chemical Soc

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In this work, mixed ligand complexes derived from ethyl 2‐(2‐hydroxybenzylidine)‐hydrazine carboxylate (HL) and 1,10‐phenanthroline (Phen) as ligands were synthesized and their structures elucidated by elemental analysis, infrared (IR), electronic,1H NMR, and mass spectra, X‐ray diffraction (XRD), magnetic susceptibility measurements, and TG/DTG analyses. The analytical and spectral data support the formation of the complexes with the central ion in each complex six‐coordinated and a slightly distorted octahedral geometry. The IR spectra showed that HL and Phen ligands act as neutral bidentates. The XRD patterns of the complexes showed their crystalline nature. The calculated bond length and the force constant F(U═O) in the uranyl complex are 1.738 Å and 685.90 Nm−1, respectively. The molar conductance values of the synthetic complexes in DMF were found to be in the range 5.00–274.06 S cm2/mol at room temperature. The thermodynamic parameters were evaluated by using the Coats–Redfern (CR) and Horowitz–Metzeger (HM) methods. Theoretical molecular structures were investigated by the density functional theory/B3LYP method using the Gaussian 98 W basis set. The nematicidal activity of the ligands and its metal complexes was also studied.

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Low‐lying singlet excited states of isocyanogen

Cited by 17 publications

References 19 publications

Biological and Spectroscopic Investigations of New Tenoxicam and 1.10-Phenthroline Metal Complexes

Biological and Spectroscopic Investigations of New Tenoxicam and 1.10-Phenthroline Metal Complexes

Synthesis, spectroscopic characterization, thermal stability and biological studies of mixed ligand complexes of gemifloxacin drug and 2,2′-bipyridine with some transition metals

Synthesis, Spectral, X‐Ray Diffraction, DFT, and Nematicidal Activity of Mixed Ligand Complexes of Ethyl 2‐(2‐Hydroxybenzylidine)‐Hydrazine Carboxylate and 1,10‐Phenanthroline with Some Transition Metals

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