Spectroscopic (FT-IR, FT-Raman, UV,1H, and13C NMR) and theoretical studies ofm-anisic acid and lithium, sodium, potassium, rubidium, and caesiumm-anisates

2009 ◽  
pp. n/a-n/a
Author(s):  
M. Kalinowska ◽  
R. Świsłocka ◽  
Z. Rzączyńska ◽  
J. Sienkiewicz ◽  
W. Lewandowski
Keyword(s):  
Theoretical Studies ◽  
1H And13c Nmr ◽  
Sodium Potassium ◽  
Anisic Acid ◽  
Ft Ir ◽  
Ft Raman

scholarly journals The effect of alkali metal ions on the electronic structure ofp-anisic acid1

2010 ◽  
Vol 24 (5) ◽  
pp. 449-459 ◽  
Author(s):  
M. Kalinowska ◽  
R. Świsłocka ◽  
E. Regulska ◽  
W. Lewandowski
Keyword(s):  
Metal Ions ◽  
Nmr Spectra ◽  
Alkali Metal Ions ◽  
Electronic Charge ◽  
Sodium Potassium ◽  
Electronic Charge Distribution ◽  
Anisic Acid ◽  
Ft Ir ◽  
C Nmr ◽  
Ft Raman

FT-IR (in solid state and solution), FT-Raman, UV and1H,13C NMR spectra of p-methoxybenzoic (p-anisic) acid and lithium, sodium, potassium, rubidium and caesiump-methoxybenzoates (p-anisates) were registered, assigned and analyzed. The structures of anisic acid and Li, Na and Kp-anisates were optimised at the B3LYP/6-311++G** level. The IR spectra and NPA, ChelpG and MK atomic charges were calculated. The effect of metal ions on the electronic charge distribution in ligand was discussed.

scholarly journals Spectroscopic (FT-IR, FT-Raman,1H and13C NMR) and theoretical studies ofp-coumaric acid and alkali metalp-coumarates

2012 ◽  
Vol 27 (1) ◽  
pp. 35-48 ◽  
Author(s):  
Renata Swislocka ◽  
Malgorzata Kowczyk-Sadowy ◽  
Monika Kalinowska ◽  
Wlodzimierz Lewandowski
Keyword(s):  
Nmr Spectra ◽  
Biochemical Properties ◽  
Electronic Charge ◽  
Coumaric Acid ◽  
1H And13c Nmr ◽  
Sodium Potassium ◽  
Ft Ir ◽  
Precise Interpretation ◽  
C Nmr ◽  
Ft Raman

The evaluation of the electronic charge distribution in metal complexes enables more precise interpretation of mechanism by which particular metal ions affect biochemical properties of ligands [J. Inorg. Biochem. 99 (2005), 1407–1423, J. Mol. Struct. 919 (2009), 284–289]. In this paper we investigated the influence of alkali metal cations (lithium, sodium, potassium, rubidium and cesium) on the electronic structure ofp-coumaric acid (p-CA). It allowed to observe the systematic changes in the spectra of investigated complexes depending on the position of the element in the periodic table.p-Coumaric acid is a derivative of cinnamic acid that occurs in several plant species. Li, Na, K, Rb and Csp-coumarates were synthesized and the experimental and theoretical FT-IR, FT-Raman,1H and13C NMR spectra ofp-coumaric acid and its salts were registered and analyzed. The structures, atomic charges, infrared and NMR spectra ofp-coumaric acid and Li, Na, K salts were calculated by B3LYP/6-311++G**method.

The spectroscopic (FT-IR, FT-Raman and 1H, 13C NMR) and theoretical studies of cinnamic acid and alkali metal cinnamates

2007 ◽  
Vol 834-836 ◽  
pp. 572-580 ◽  
Author(s):  
Monika Kalinowska ◽  
Renata Świsłocka ◽  
Włodzimierz Lewandowski
Keyword(s):  
Alkali Metal ◽  
Cinnamic Acid ◽  
13C Nmr ◽  
Theoretical Studies ◽  
Ft Ir ◽  
Ft Raman

scholarly journals The FT-IR, FT-Raman,1H and13C NMR study on molecular structure of sodium(I), calcium(II), lanthanum(III) and thorium(IV) cinnamates

2010 ◽  
Vol 24 (3-4) ◽  
pp. 277-281 ◽  
Author(s):  
M. Kalinowska ◽  
W. Lewandowski ◽  
R. Swislocka ◽  
E. Regulska
Keyword(s):  
Molecular Structure ◽  
Nuclear Magnetic Resonance ◽  
Electronic Structure ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
1H And13c Nmr ◽  
Nmr Study ◽  
Ft Ir ◽  
C Nmr ◽  
Ft Raman

In this work the effect of sodium(I), calcium(II), lanthanum(III) and thorium(IV) ions on the electronic structure of cinnamic acid (phenylacrylic acid) was studied. In this research: infrared (FT-IR), Raman (FT-Raman), nuclear magnetic resonance (1H,13C NMR) were used. In the series of Na(I)→ Ca(II)→ La(III)→ Th(IV) cinnamates: (1) systematic shifts of several bands in the FT-IR and FT-Raman spectra, and (2) regular chemical shifts of protons1H and13C nuclei were observed.

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