Table 4. Calculated IR Frequencies (unscaled) of B, N-Doped Graphene (G)-Amino acid complexes.
| Complex | ν 1(O–H) (cm−1) | ν 2(N–H) (cm−1) | ν 3(C O) (cm−1) |
|---|---|---|---|
| Pristine G-Gly | 3804 | 3529 (sym) | 1896 |
| 3605 (asym) | |||
| Pristine G-Ser | 3764 | 3512 (sym) | 1881 |
| 3916 | 3614 (asym) | ||
| GN-Gly | 3795 | 3533 (sym) | 1884 |
| 3621 (asym) | |||
| GN-Ser | 3754 | 3519 (sym) | 1869 |
| 3913 | 3616 (asym) | ||
| GB-Gly | 3777 | 3530 (sym) | 1894 |
| 3637 (asym) | |||
| GB-Ser | 3742 | 3526 (sym) | 1845 |
| 3811 | 3622 (asym) | ||
| GNB-Gly | 3812 | 3554 (sym) | 1896 |
| 3656 (asym) | |||
| GNB-Ser | 3770 | 3519 (sym) | 1872 |
| 3914 | 3614 (asym) | ||
| GBN-Gly | 3810 | 3552 (sym) | 1897 |
| 3654 (asym) | |||
| GBN-Ser | 3770 | 3524 (sym) | 1882 |
| 3911 | 3621 (asym) | ||
| GNB_2-Gly | 3805 | 3547 (sym) | 1910 |
| 3640 (asym) | |||
| GNB_2-Ser | 3678 | 3520 (sym) | 1858 |
| 3875 | 3613 (asym) | ||
| GBN_2-Gly | 3793 | 3530 (sym) | 1885 |
| 3606 (asym) | |||
| GBN_2-Ser | 3748 | 3527 (sym) | 1848 |
| 3832 | 3615 (asym) |