Table 1.
Summary of Per vibrational modes between 1500 and 2000 cm-1. Abbreviations: PMS = peridinin model system; ACN=acetonitrile; CHX = cyclohexane; MeOH = methanol.
| Infrared (solid state) [22] | Raman (solid state) [28] |
Calculations in vacuum [28] | MD (on PMS) (vacuum/CHX/ACN/MeOH) [22] | Resonance Raman in solvents(CHX/ACN/MeOH) [22] | Assignment |
|---|---|---|---|---|---|
| 1925 | 1928 | 1934 | 1953/1963/ 1952/1955 |
1929/ 1929/1929 |
Allene [28, 22] |
| 1740, 1717 (sh), 1771 (sh) | 1747 | 1751 | 1762/1748/ 1717/1709 |
1765-1777/ 1751/1736-1756 |
stretching of the C=O of the lactonic ring. The 1717 cm-1 band observed in IR was assigned to the stretching of the ester C=O [22] |
| 1643 | 1621/1624/ 1623/1624 |
Polyene chain [22] | |||
| 1622 | 1616 | 1610 | 1601/1597/ 1598/1597 |
1614/ 1616/1614 |
Polyene chain [22] |
| 1596 | 1582/1578/ 1577/1579 |
Polyene chain [22] | |||
| 1590 | 1587 | 1575/1574/ 1575/1570 |
-/ 1589/1588 |
Polyene chain [22] | |
| 1538 | 1540 | 1518 | 1538/1531/ 1527/1526 |
1563/ 1565/1568 |
Polyene chain [22] |
| 1521 | 1522 | 1503 | 1517/1516/ 1513/1512 |
1540/ 1540/1538 |
Polyene chain [22] |
| 1496/1492/ 1494/1489 |
1525/ 1526/1524 |
Polyene chain [22] |