2017
DOI: 10.4314/bcse.v31i1.6
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FT-IR, NMR spectroscopic and quantum mechanical investigations of two ferrocene derivatives

Abstract: ABSTRACT. New ferrocene derivatives as N-(3-piperidin-1-ylpropyl)ferrocenamide and N-(pyridine-3-ylmethyl)ferrocenamide (Fc-3pica) and structural investigations were carried out with 1 H, 13 C, DEPT 45 or 135, HETCOR, COSY NMR and FT-IR spectroscopic techniques. Characterization of Fc-3ppa (FeC19H26N2O) and Fc-3pica (FeC17H16N2O) was also supported by density functional theory (DFT) used by B3LYP functional and 6-31G(d) or 6-311++G(d,p) basis sets. From the combination of all the results, it can be clearly se… Show more

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Cited by 4 publications
(3 citation statements)
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“…As previously reported, the C–H stretching band due to the ferrocene group appeared around 3042–3160 cm -1 [ 45 ]. Based on our recent analysis, the C–H stretching mode ferrocene of Fc1 is found at 3148.63 cm -1 (IR) and at 3149.00 cm -1 theoretically.…”
Section: Resultssupporting
confidence: 77%
See 1 more Smart Citation
“…As previously reported, the C–H stretching band due to the ferrocene group appeared around 3042–3160 cm -1 [ 45 ]. Based on our recent analysis, the C–H stretching mode ferrocene of Fc1 is found at 3148.63 cm -1 (IR) and at 3149.00 cm -1 theoretically.…”
Section: Resultssupporting
confidence: 77%
“…C-H vibrations. As previously reported, the C-H stretching band due to the ferrocene group appeared around 3042-3160 cm -1 [45]. Based on our recent analysis, the C-H stretching…”
Section: Plos Onesupporting
confidence: 80%
“…Supplementary Figure 3 shows that most of the IR signal of Hemin and Fc-COOH overlapped in the IR spectrum of Fc–Hemin. A new peak near 1,540 cm −1 is found, which is attributed to amide II (N–H bending and C–N stretching) (Alver and Parlak, 2017 ; Balan et al, 2019 ). The peaks near 2,900 cm −1 are mostly attributed to CH groups from porphyrin structure, which can also be found from the spectrum of Hemin.…”
Section: Resultsmentioning
confidence: 99%