Theoretical and experimental spectroscopic studies of monomeric and dimeric structures of 4-hydroxybenzamide
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.127742
Abstract: Abstract 4-Hydroxybenzamide (4HBM) molecule was optimized geometrically and vibrational spectral analyses of monomer and dimer structures have been reported by DFT calculations using B3LYP/6–311++G(d,p) level of theory. The molecular structural parameters of the title compound… read more here.
Keywords: spectroscopic studies; monomeric dimeric; theoretical experimental; studies monomeric ... See more keywords
Experimental Spectroscopic Data of SnO2 Films and Powder
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DOI: 10.3390/data8020037
Abstract: Powders and films composed of tin dioxide (SnO2) are promising candidates for a variety of high-impact applications, and despite the material’s prevalence in such studies, it remains of high importance that commercially available materials meet… read more here.
Keywords: data sno2; spectroscopy; microscopy; spectroscopic data ... See more keywords
Experimental, Spectroscopic, and Computational Insights into the Reactivity of “Methanal” with 2-Naphthylamines
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DOI: 10.3390/molecules28041549
Abstract: The reactions of 2-naphthylamine and methyl 6-amino-2-naphthoate with formalin and paraformaldehyde were studied experimentally, spectrally, and by quantum chemical calculations. It was found that neither the corresponding aminals nor imines were formed under the described… read more here.
Keywords: insights reactivity; methanal naphthylamines; reactivity methanal; experimental spectroscopic ... See more keywords