Spectroscopic (Raman, FT-IR, and NMR) study of alkaline metal nicotinates and isonicotinates

Koczoń, P.; Hrynaszkiewicz, T.; Świsłocka, Renata; Samsonowicz, M.; Lewandowski, W.

doi:10.1016/j.vibspec.2003.09.005

Cited by 35 publications

(14 citation statements)

References 10 publications

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“…This causes different physico-chemical and thermal properties of studied metal complexes. The similar conclusion was described in the papers devoted to the salts and metal complexes of 2, 3-and 4-pyridinecarboxylic acids [19,20].…”

Section: Ir and Raman Spectrasupporting

confidence: 80%

“…In our previous work, we examined the effect of different metals (alkali [19][20][21], alkaline earth [22], 3d-metals [23]) on the electronic system of pyridinecarboxylic acids. Research shows that alkali and heavy toxic metals with low ionic potential disturb the aromatic system, while the 3d-transition metals stabilize the aromatic system pyridinecarboxylic acids.…”

Section: Introductionmentioning

confidence: 99%

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Spectroscopic (IR, Raman) and thermogravimetric studies of 3d-metal cinchomeronates and dinicotinates

Świderski

Kalinowska

Rusinek³

et al. 2016

J Therm Anal Calorim

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In this work, the thermal and spectroscopic properties of 3d-metal (Co, Cu, Zn, Mn, Ni, Fe) and sodium salts with cinchomeronic acid (3,4-pyridinedicarboxylic acid) (3,4pda) and dinicotinic acid (3,5-pyridinedicarboxylic acid) (3,5pda) were studied. The IR and Raman spectra were registered and analyzed in the range of 400-4000 cm -1 . The thermogravimetric study of synthesized compounds was done. The degree of hydration and the products of thermal decomposition were estimated. Moreover, it was done the comparison between the effect of 3d-transition metal cations and sodium cation on the degree of perturbation or stabilization of the electronic system of pyridine molecule depending on the position of carboxylic group in the ring.

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Section: Ir and Raman Spectrasupporting

confidence: 80%

Section: Introductionmentioning

confidence: 99%

Spectroscopic (IR, Raman) and thermogravimetric studies of 3d-metal cinchomeronates and dinicotinates

Świderski

Kalinowska

Rusinek³

et al. 2016

J Therm Anal Calorim

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“…In our earlier works, the influence of various metals and halogens on the electronic structure of the benzoic, salicylic, nicotinic and isonicotinic acids were studied [12,13,14,15]. Those ligands were treated as models to study enzymes and other biologically important molecules.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic (FT-IR, FT-Raman, 1H- and 13C-NMR), Theoretical and Microbiological Study of trans o-Coumaric Acid and Alkali Metal o-Coumarates

et al. 2015

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This work is a continuation of research on a correlation between the molecular structure and electronic charge distribution of phenolic compounds and their biological activity. The influence of lithium, sodium, potassium, rubidium and cesium cations on the electronic system of trans o-coumaric (2-hydroxy-cinnamic) acid was studied. We investigated the relationship between the molecular structure of the tested compounds and their antimicrobial activity. Complementary molecular spectroscopic techniques such as infrared (FT-IR), Raman (FT-Raman), ultraviolet-visible (UV-VIS) and nuclear magnetic resonance (1H- and 13C-NMR) were applied. Structures of the molecules were optimized and their structural characteristics were calculated by the density functional theory (DFT) using the B3LYP method with 6-311++G** as a basis set. Geometric and magnetic aromaticity indices, atomic charges, dipole moments and energies were also calculated. Theoretical parameters were compared to the experimental characteristics of investigated compounds. Correlations between certain vibrational bands and some metal parameters, such as electronegativity, ionization energy, atomic and ionic radius, were found. The microbial activity of studied compounds was tested against Escherichia coli, Bacillus subtilis, Pseudomonas aeruginosa, Staphylococcus aureus, Proteus vulgaris and Candida albicans.

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“…In the case of experimental spectra of the compounds under study, all protons except for H6a in 2‐nba are shifted slightly paramagnetically in comparison with benzoic acid (Table IX). This indicates an increase in intensity of ring current in substituted benzoic acid and a decrease in the screening of these protons in nitrobenzoic acids 24. The chemical shifts of protons being in the same position of the ring increase in the order: 2a proton: ba<4‐nba<3‐nba; 3a proton: ba<2‐nba<4‐nba; and 4a proton: ba<2‐nba<3‐nba.…”

Section: Resultsmentioning

confidence: 94%

Experimental and theoretical IR, Raman, NMR spectra of 2‐, 3‐, and 4‐nitrobenzoic acids

Samsonowicz

Świsłocka

Regulska

et al. 2006

Int J of Quantum Chemistry

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ABSTRACT:The influence of the position of nitro group toward the carboxylic group on the vibration structure of the molecule was estimated. Optimized geometrical structures were calculated (HF, B3PW91, B3LYP). Experimental and theoretical FT-IR, FT-Raman, and nuclear magnetic resonance (NMR) spectra of the title compounds were recorded and analyzed. The most important vibrational bands of nitro and carboxyl groups and the benzene ring were assigned. Wavenumbers and intensities for the three acids studied were compared and discussed. Data of chemical shifts in 1 H and 13 C NMR spectra of 2-, 3-, and 4-nitrobenzoic acids were analyzed in comparison with benzoic acid molecule. The calculated parameters are compared with experimental characteristics of these molecules.

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Spectroscopic (Raman, FT-IR, and NMR) study of alkaline metal nicotinates and isonicotinates

Cited by 35 publications

References 10 publications

Spectroscopic (IR, Raman) and thermogravimetric studies of 3d-metal cinchomeronates and dinicotinates

Spectroscopic (IR, Raman) and thermogravimetric studies of 3d-metal cinchomeronates and dinicotinates

Spectroscopic (FT-IR, FT-Raman, 1H- and 13C-NMR), Theoretical and Microbiological Study of trans o-Coumaric Acid and Alkali Metal o-Coumarates

Experimental and theoretical IR, Raman, NMR spectra of 2‐, 3‐, and 4‐nitrobenzoic acids

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