2013
DOI: 10.1016/j.saa.2013.03.022
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The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations. Identification of the tautomers in the isolated state and simulation the spectra in the solid state

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Cited by 14 publications
(2 citation statements)
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“…However, these bands almost disappear from the SERS of ds br C5. It has been shown that the C5‐bromination has little effect on the atomic charge distribution of cytosine19 as well as on the overall duplex stability 1920. Thus, we deduce that in the duplex conformation the NH 2 group geometry is largely determined by the strong Watson–Crick base pairing which significantly reduces the influence of the Br group on the amino conformation (see Supporting Information, Figure S10, for a more detailed discussion).…”
mentioning
confidence: 69%
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“…However, these bands almost disappear from the SERS of ds br C5. It has been shown that the C5‐bromination has little effect on the atomic charge distribution of cytosine19 as well as on the overall duplex stability 1920. Thus, we deduce that in the duplex conformation the NH 2 group geometry is largely determined by the strong Watson–Crick base pairing which significantly reduces the influence of the Br group on the amino conformation (see Supporting Information, Figure S10, for a more detailed discussion).…”
mentioning
confidence: 69%
“…Noteworthy, in the case of ss br C new intense features arise at 1060 cm −1 and, as a shoulder, at 1622 cm −1 . These bands were tentatively assigned to bending modes of the NH 2 group17b, 19 which adopts a co‐planar geometry as a result of the Br substitution 19. However, these bands almost disappear from the SERS of ds br C5.…”
mentioning
confidence: 99%