TABLE I.
Vibrational modes of the DNA backbone. The diagonal anharmonicity Δ and the FFCF parameters are derived from the analysis of the linear and 2D infrared spectra. The FFCF consists of two Kubo terms with amplitudes and and decay times ps and ps.
Mode | Character | Frequency ν01 (92%/0% r.h.) (cm−1) | Anharmonicity Δ (92%/0% r.h.) (cm−1) | FFCF (92%/0% r.h.) (cm−1) | (92%/0% r.h.) (cm−1) |
---|---|---|---|---|---|
Sym. phosphate stretch | 1092/1096 | 8/7 | 8/4 | 7/9 | |
Diester linkage | 1071/1068 | 10/14 | 7/3 | 7/11 | |
Diester linkage | 1052/1038 | 10/16 | 8/4 | 9/12 | |
Furanose ring | 1016/1009 | 10/6 | 9/5 | 12/6 | |
Ribose main chain | 976/972 | 7/8 | 7/5 | 7/8 | |
Diester linkage | 962/957 | 7/9 | 6/5 | 6/8 |