Catalytic trimerization of 2- and 4-cyanopyridine isomers to the triazine derivatives in presence of magnesium phthalocyanine

Janczak, Jan; Śledź, M.; Kubiak, Ryszard

doi:10.1016/j.molstruc.2003.07.008

Cited by 30 publications

(27 citation statements)

References 21 publications

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“…Intermolecular interactions (e.g., π–π stacking interactions, hydrogen bonding) may induce a significant redshift of the electron absorption band . The presence of a weak band above 375 nm in the crystalline state stems from intermolecular interactions of tpt …”

Section: Resultsmentioning

confidence: 99%

“…PXRD patterns were collected at room temperature on a Rigaku MiniFlex II diffractometer using Cu Kα radiation ( λ =1.5406 Å). Simulated PXRD patterns were derived by using Mercury (version 3.5.1) software and the single‐crystal X‐ray diffraction data . UV/Vis absorption spectra were recorded in reflectance mode at room temperature on a PerkinElmer Lambda 950 UV/vis/NIR spectrophotometer with an integrating sphere attachment and BaSO 4 as reference.…”

Section: Methodsmentioning

confidence: 99%

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2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine: Photoinduced Charge Separation and Photochromism in the Crystalline State

Han

et al. 2019

Chemistry A European J

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2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine (tpt) is a widely used ligand for functional coordination compounds. In this work, tpt has shown unprecedented photochromism in the crystalline state. Experimental and theoretical data has revealed that the photocoloration of tpt very likely originates from intramolecular charge separation and the formation of a triplet diradical product. This finding demonstrates a new simple, neutral photochromic molecule and endows the tpt molecule and related compounds with potential optical applications.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine: Photoinduced Charge Separation and Photochromism in the Crystalline State

Han

et al. 2019

Chemistry A European J

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“…Since two different conformers A and B are possible for the tptz ligand [53] (see supplementary, Scheme S2), the structure of both were fully optimized at the B3LYP method using three basis set including 6-31G ⁄ , 6-311G ⁄⁄ and 6-311++G ⁄⁄ , with no initial symmetry restrictions and assuming C 1 point group (Scheme S2). The optimized geometry of the ligand in the gas phase reoptimized by considering the solvent effect ( = 32.7) using polarized continuum model (PCM).…”

Section: Geometry Optimization Of Tptz Ligandmentioning

confidence: 99%

Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel mononuclear cobalt(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand

Maghami

Farzaneh

Ghiasi

et al. 2015

Journal of Molecular Structure

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Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel mononuclear cobalt(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand h i g h l i g h t s A new Co(II) complex with formula [Co(tptz)(CH 3 OH)Cl 2 ]ÁCH 3 OHÁ0.5H 2 O has been prepared. Using tptz = 2,4,6-tris(2-pyridyl)-1,3,5-triazine as ligand. The antibacterial activity of Co(II), Ni(II), Cu(II), Mn(II) and Rh(III) with tptz have been evaluated. The DFT studies consistent with experimental results. g r a p h i c a l a b s t r a c tThe crystal structure of Co(II) with formula [Co(tptz)(CH 3 OH)Cl 2 ]ÁCH 3 OHÁ0.5H 2 O, (tptz = 2,4,6-tris(2-pyridyl)-1,3,5-triazine) was determined by single-crystal X-ray diffraction. The DFT studies consistent with experimental results. Then, the in vitro antibacterial activity of ligand and tptz complexes of Co(II), Ni(II), Cu(II), Mn(II) and Rh(III) have been evaluated. a b s t r a c t A cobalt complex was prepared from CoCl 2 Á6H 2 O and 2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz) in methanol and designated as [Co(tptz)(CH 3 OH)Cl 2 ]ÁCH 3 OHÁ0.5H 2 O (1). It was characterized by several techniques including TGA analysis and FT-IR, UV-Vis and 1 H NMR spectral studies. The crystal structure of 1 was determined by single-crystal X-ray diffraction. The Co(II) metal center in 1 is six coordinated with a distorted octahedral geometry. The tptz ligand is tridentate and coordinates to the cobalt through coplanar nitrogen atoms from the triazine and two pyridyl rings. Two chloride anions and a methanol molecule complete the inner coordination sphere of the metal ion. The optimized geometrical parameters obtained by DFT calculation are in good agreement with single XRD data. The in vitro antibacterial activity of various tptz complexes of Co(II), Ni(II), Cu(II), Mn(II) and Rh(III) were evaluated against Gram-positive (Bacillus subtilis, Staphylococcus aureus and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacteria. Whereas all complexes exhibited good activity in comparison to standard antibacterial drugs, the inhibitory effects of complexes were found to be more than that of the parent ligand. Overall, the obtained results strongly suggest that the cobalt(II) complex is a suitable candidate for counteracting antibiotic resistant microorganisms.

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“…These features make phthalocyanine the target of intense theoretical and experimental studies to develop new materials and drugs [7][8][9][10][11][12]. Among their applications, we can mention the use of phthalocyanine in the construction of chemical sensors [7,13,14], semiconductor materials [7,14,15], photoconductors [7,[16][17][18], electrochromic display [7,19,20], optical recording materials [21,22], catalytic properties for organic reactions [23][24][25][26][27] and potential applications in the treatment of many kinds of diseases like infections and visual and neural degenerative diseases [7,[28][29][30][31].…”

Section: Introductionmentioning

confidence: 99%

Theoretical investigation of nitric oxide interaction with aluminum phthalocyanine

Silva

Martins

Oliveira

et al. 2011

Journal of Molecular Graphics and Modelling

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Catalytic trimerization of 2- and 4-cyanopyridine isomers to the triazine derivatives in presence of magnesium phthalocyanine

Cited by 30 publications

References 21 publications

2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine: Photoinduced Charge Separation and Photochromism in the Crystalline State

2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine: Photoinduced Charge Separation and Photochromism in the Crystalline State

Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel mononuclear cobalt(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand

Theoretical investigation of nitric oxide interaction with aluminum phthalocyanine

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