Articles with "structural theoretical" as a keyword



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Spectral, structural and theoretical studies of α‒methyl trans cinnamaldehyde semicarbazone

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Published in 2019 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2019.01.041

Abstract: Abstract A novel semicarbazone, α‒methyl trans cinnamaldehyde semicarbazone has been synthesized and characterized by elemental analysis, FT-IR, FT-Raman, NMR and UV-Visible spectral techniques. The single crystal X-ray diffraction study of the isolated crystals of the… read more here.

Keywords: methyl trans; theoretical studies; trans cinnamaldehyde; structural theoretical ... See more keywords
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Spectral, structural and theoretical study of novel helical and linear structures of PbI2 and PbBr2 complexes with a triazine ligand

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Published in 2019 at "Journal of Coordination Chemistry"

DOI: 10.1080/00958972.2019.1619707

Abstract: Abstract Two coordination polymers of lead(II), 1D-{Pb(DFPT)(μ-Br)2}n (1) and 1D-helical-{Pb(DFPT)(μ-I)2}n (2), with 5,6-di(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-triazine (DFPT) were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D-double chain-coordination polymers of… read more here.

Keywords: study novel; coordination; theoretical study; structural theoretical ... See more keywords
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Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism.

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Published in 2020 at "Acta crystallographica. Section C, Structural chemistry"

DOI: 10.1107/s2053229619016164

Abstract: Structural and theoretical studies of four novel 5,6-dehydronorcantharidine (DNCA)/norcantharidine (NCA) derivatives, namely (3aR,4S,7R,7aS)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione, C14H11NO3 (DNCA-A), (3aR,4S,7R,7aS)-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione, C14H10N2O5 (DNCA-NA), (3aR,4S,7R,7aS)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C14H12N2O5 (NCA-NA), and (3aR,4S,7R,7aS)-2-(2-hydroxyethyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C10H13NO4 (NCA-AE), are reported. The supramolecular interactions and single-crystal structural characteristics of… read more here.

Keywords: crystal structures; four novel; 3ar 7as; structural theoretical ... See more keywords