Table 1 Characteristic NIR bands of nucleobases.
From: Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases
Characteristic bands (major contributions) | Nucleobase | Wavenumber (cm−1) |
|---|---|---|
combinations involving νNH | Thymine | 4080 |
combinations involving νCH | Cytosine | 4206 |
combinations involving νNH, δipNH, νasCH3 | Thymine | 4354–4332 |
combinations involving νCH, δrockNH2, δipring | Adenine | 4361 |
combinations involving νNH, δipNH | Thymine | 4426 |
combinations involving δipNH, δipring | Guanine | 4493 |
combinations involving νasNH2, δrockNH2, δipring | Cytosine | 4519–4481 |
combinations involving νasNH2, | Adenine | 4528 |
combinations involving νNH, δipNH, δrockNH2 | Thymine | 4550 |
combinations involving δipCH, δipring | Adenine | 4768 |
combinations involving νasNH2, δscissNH2 | Guanine | 4908 |
combinations involving δscissNH2, δipNH | Adenine | 4972–4946 |
combinations involving δscissNH2, δipring, δipNH | Cytosine | 4997 |
combinations involving δipNH, δscissNH2 | Guanine | 4998 |
combinations involving νasCH3, νsCH3 | Thymine | 5997 |
combinations involving νNH | Cytosine | 5992 |
combinations involving νCH | Adenine | 6149–6082 |
combinations involving νNH, νCH | Guanine | 6148–6103 |
overtones of νNH | Adenine | 6670–6450 |
overtones of νNH | Cytosine | 6970–6720 |
overtones of νNH, νCH | Guanine | 6940–6025 |
overtones of νNH, νCH | Thymine | 6500–5890 |
