A DFT study of molecular structure and 1 H NMR, IR, and UV-Vis spectrum of Zn(II)-kaempferol complexes: A metal-flavonoid complex showing enhanced anticancer activity

2018 ◽  
Vol 118 (23) ◽  
pp. e25773 ◽  
Author(s):  
Leonardo A. De Souza ◽  
Malucia M. Soeiro ◽  
Wagner B. De Almeida
Keyword(s):  
Molecular Structure ◽  
Anticancer Activity ◽  
Dft Study ◽  
H Nmr

scholarly journals Novel azo pyridone dyes based on dihydropyrimidinone skeleton: Synthesis, DFT study and anticancer activity

2021 ◽  
Vol 187 ◽  
pp. 109123
Author(s):  
Julijana D. Tadić ◽  
Jelena M. Lađarević ◽  
Željko J. Vitnik ◽  
Vesna D. Vitnik ◽  
Tatjana P. Stanojković ◽  
...  
Keyword(s):  
Anticancer Activity ◽  
Dft Study

DFT study of the molecular structure of 3,4-dihydropyrimidin-2(1H)-ones

2010 ◽  
Vol 141 (11) ◽  
pp. 1203-1212 ◽  
Author(s):  
Hamid Reza Memarian ◽  
Hassan Sabzyan ◽  
Asadollah Farhadi
Keyword(s):  
Molecular Structure ◽  
Dft Study

Combined gas-phase electron diffraction/mass spectrometry and DFT study of the molecular structure of zinc(II) etioporphyrin-II

2015 ◽  
Vol 26 (5-6) ◽  
pp. 1521-1530 ◽  
Author(s):  
Natalya V. Tverdova ◽  
Alexander E. Pogonin ◽  
Anatoly A. Ischenko ◽  
Valentina D. Rumyantseva ◽  
Oscar I. Koifman ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Mass Spectrometry ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Dft Study ◽  
Gas Phase Electron Diffraction

Synthesis, Molecular Structure and DFT Study of 2-(N-Benzoylbenzamido)pyridine-3-yl benzoate

2011 ◽  
Vol 41 (10) ◽  
pp. 1520-1527
Author(s):  
Çiğdem Yüksektepe ◽  
Canan Kazak ◽  
Cem Özdoğan ◽  
Ziya B. Güvenç ◽  
Orhan Büyükgüngör ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Dft Study

Synthesis and characterization of a new (phthalocyani-nato)bis(carboxylate) silicon(IV) compound with increased solubility

2002 ◽  
Vol 06 (03) ◽  
pp. 198-202 ◽  
Author(s):  
José L. Sosa-Sánchez ◽  
Alberto Galindo ◽  
Dino Gnecco ◽  
Sylvain Bernès ◽  
George R. Fern ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Structure Determination ◽  
Spectroscopic Characterization ◽  
X Ray Diffraction ◽  
H Nmr ◽  
Axial Ligands ◽  
Nmr Characterization ◽  
Soluble Silicon ◽  
Soluble Material

The synthesis and spectroscopic characterization of a new soluble silicon(IV) phthalocyanine complex is presented. The compound shows an increased solubility compared to its SiPcCl 2 precursor and this allowed solution 1 H NMR characterization. The assignment of the 1 H NMR signals for the axial ligands is greatly facilitated due to the anisotropic high ring current effects from the macrocycle. In addition, good quality crystals were grown from this more soluble material for molecular structure determination by single-crystal X-ray diffraction analysis. The molecular structure determination shows that the complex crystallizes in a non-centrosymmetric space group due to the inherent chirality of the naproxene ligands. Bond lengths and angles fit well to other analogous compounds previously reported.

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