Skip to main content
Biology LibreTexts

Vibrational Assignments 2

Pr(-) Pr (Raman) Lumi-R(+) Lumi-R (Raman) Lumi-R* (Raman) Pfr (+) Pfr (Raman) I* (Raman) Assignment Ref
2557          2575     \(Cys, \ \nu (S-H)\) 1
1736         1724     \(\nu (C_1=O)\) 1,2,3,4,6
1738         1732     \(C_1=O\) 10,1
1735   1738           \(C_1=O\) 10
1734         1722     \(-COOH \ (Asp/Glu), \ \nu(C=O)\) 1,2
1704               \(\nu (C_{19}=O)\) 1,2,3,4,6
1720         1692     \(C_{19}=O\) 10,1
1716   1685           \(C_{19}=O\) 10
          1692     \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
1687               \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
          1683     \(amide \ I \ (loop/turn)/propionate \ COOH, \ \nu (C=O)\) 1
1672               \(amide \ I \ (loop/turn)\) 1
          1653     \(amide \ I \ (\alpha -helical)\) 1,2,3
          1653     \(chromophore^* \ \delta (N-H)\) 1
          1653     \(chromophore^* \ \nu (C-C)\) 1,3,4
1631               \(amide \ I \ (\beta -structure)/chromophore \ \nu (C=C)\) 1,3,5
          1614     \(amide \ I \ (\beta -structure)^* /chromophore \ \nu (C=C)\) 1,3,5
1606               \(amide \ I \ (\beta -structure)^* /chromophore \ \nu (C=C)\) 1,3,4
          1589     \(chromophore \ \nu (C=C)\) 1,3,4,6
      1614       1609 \(C=C \ stretch\) 11
1570         1554     \(amide \ II\) 1,3,4,5,7,8,9
1537               \(chromophore \ \nu (C=C) \ + \ \delta (N-H)/\nu (C-N) \ + \ \delta (N-H)\) 1
1491         1512     \(chromophore \ \nu (C=C) \ + \ \delta (N-H)/\nu (C-N) \ + \ \delta (N-H)\) 1
1487         1502     \(Trp, \ \nu (C-N) \ + \ \delta (C-H) \ + \ \delta (N-H)\) 1
1246               \(chromophore \ \nu (C-N)\) 1
1244         1228    

\(Trp^* , \ \nu (C-C) \ + \ \delta (C-H)/HisH, \ \delta (CH_3) \ + \ \nu (C-N) \ + \ \delta (N-H)\)

1
1223         1230     \(chromophore \ \nu (C-N)\) 1
          1209     \(chromophore \ \nu (C-C)/amino \ acid\) 1
1177         1172     \(chromophore \ \nu (C-C)/amino \ acid\) 1
1151         1163     \(chromophore \ \nu (C-N)\) 1
          1134     \(chromophore \ \nu (C-N)\) 1
          1119     \(chromophore \ \nu (C-N)\) 1
1109               \(chromophore \ \nu (C-N)\) 1
1107         1099     \(HisH, \ \nu (C-N)\)  1
1085         1082     \(chromophore \ \nu (C-C)/amino \ acid\) 1
1072               \(chromophore \ \nu (C-N)\) 1
              1345 \(C-C \ ,C-N \ stretch\) 11
1652   1643           \(C_{15}=C_{16}\) 10
1649   1633           \(C_{15}=C_{16}\) 10
  1629             \(C_{15}=C_{16} \ (methine \ bridge) \ ,C_{17}=C_{18} \ (double \ bond \ of \ the \ d \ ring)\) 11
  1652   1645         \(C_4=C_5 \ (A-B \ ring) \ stretch\) 11
1633   1627           \(C_4=C_5\) 10
1632               \(C_4=C_5\) 10
1635               \(C_4=C_5\) 10
1611   1602           \(C_4=C_5, \ C_9=C_{10}, \ C_{10}=C_{11}, \ C_{15}=C_{16}\) 10
  794   803       816 \(vinyl \ C_{15)-H \ hydrogen \ out-of-plane \ (HOOP)\) 11
                   
  1223           1056 \(vinyl \ C-H \ in-plane \ rock\) 11
  1312             \(vinyl \ N-H \ in-plane \ rock\) 11
  1566             \(in-phase \ in-plane \ N-H \ rock \ (localized \ to \ B \ and \ C \ rings\) 11
      1560     1570   \(N-H \ rock \ for \ C \ and \ D \ rings\) 11
              1302 \(D-ring \ N-H rock\) 11
      1302         \(N-H \ in-plane \ rock\) 11
        1112       \(vinyl \ C-H \ rock\) 11
  1. van Thor, J. J.; Fisher, N.; Rich, P. R. J. Phys. Chem. B 2005, 109, 20597
  2. Foerstendorf, H.; Lamparter, T.; Hughes, J.; Gartner, W.; Siebert, F. Photochem. Photobiol. 2000, 71, 655.
  3. Siebert, F.; Grimm, R.; Rudiger, W.; Schmidt, G.; Scheer, H. Eur. J. Biochem. 1990, 194, 921.
  4. Foerstendorf, H.; Mummert, E.; Schafer, E.; Scheer, H.; Siebert, F. Biochemistry 1996, 35, 10793.
  5. Andel, F., III; Murphy, J. T.; Haas, J. A.; McDowell, M. T.; van der Hoef, I.; Lugtenburg, J.; Lagarias, J. C.; Mathies, R. A. Biochemistry 2000, 39, 2667.
  6. Foerstendorf, H.; Benda, C.; Gartner, W.; Storf, M.; Scheer, H.; Siebert, F. Biochemistry 2001, 40, 14952.
  7. Mroginski, M. A.; Murgida, D. H.; von Stetten, D.; Kneip, C.; Mark, F.; Hildebrandt, P. J. Am. Chem. Soc. 2004, 126, 16734.
  8. Fodor, S. P.; Lagarias, J. C.; Mathies, R. A. Photochem. Photobiol. 1988, 48, 129.
  9. Fodor, S. P.; Lagarias, J. C.; Mathies, R. A. Biochemistry 1990, 29, 11141.
  10. van Thor, J. J.; Ronayne, K. L.; Towrie M. J. Am. Chem. Soc. 2006, 129, 126
  11. Dasgupta J.; Frontiera R. R.; Taylor K. C.; Lagarias J. C.; Mathies R. A. PNAS 2009, 106, 1784