TABLE 1.
Calc. C=C str. frequency
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Isotopomer | Experimental C=C stretch frequencies (% max int.) | 15,15′-cis | 13,14-cis | |||||
NA | 1523 (19) | 1538 (100) | 1525 | 1537 | 1526 | 1539 | ||
8-13C | 1524 (100) | 1533 (55) | 1538 (29) | 1550 (19) | 1523 | 1535 | 1525 | 1532 |
10-2H* | 1534 (100) | 1525 | 1531 | 1523 | 1539 | |||
10-13C* | 1518 (100) | 1525 | 1528 | 1522 | 1539 | |||
11-2H | 1516 (54) | 1529 (100) | 1540 (46) | 1516 | 1534 | 1524 | 1528 | |
11-13C | 1519 (76) | 1528 (100) | 1517 | 1536 | 1525 | 1529 | ||
12-2H* | 1524 (100) | 1519 | 1534 | 1519 | 1531 | |||
13-13C | 1524 (93) | 1528 (100) | 1537 (81) | 1522 | 1529 | 1512 | 1539 | |
14-2H | 1522 (26) | 1532 (100) | 1523 | 1531 | 1516 | 1539 | ||
15-2H | 1514 (26) | 1529 (100) | 1535 (87) | 1517 | 1535 | 1524 | 1529 | |
15′-2H | 1514 (22) | 1529 (100) | 1537 (82) | 1517 | 1537 | 1525 | 1531 | |
15′-13C | 1508 (11) | 1522 (32) | 1539 (100) | 1511 | 1537 | 1522 | 1533 | |
14′-2H* | 1520 (25) | 1531 (100) | 1535 (86) | 1541 (34) | 1523 | 1535 | 1523 | 1538 |
14′-13C* | 1529 (100) | 1534 (85) | 1555 (10) | 1525 | 1533 | 1521 | 1539 | |
11′-2H | 1528 (51) | 1538 (100) | 1523 | 1537 | 1525 | 1537 | ||
10,12-2H2* | 1518 (100) | 1517 | 1530 | 1516 | 1531 | |||
12,14-2H2* | 1519 (100) | 1514 | 1530 | 1509 | 1530 | |||
15,15′-2H2 | 1506 (92) | 1515 (81) | 1534 (100) | 1551 (9) | 1506 | 1535 | 1514 | 1524 |
13,14-13C2 | 1505 (40) | 1511 (90) | 1526 (78) | 1539 (100) | 1514 | 1526 | 1499 | 1539 |
The intensity value between brackets is proportional to the most intense peak in the spectrum. The calculated frequencies in the last four columns concern 15,15′-cis spheroidene and 13,14-cis spheroidene.
Due to the proximity of transitions, a single experimental peak is found for which assignments of maxima and shoulders are tentative or even impossible. The widths (FWHM) are: 10-2H 16 cm−1, 10-13C 18 cm−1, 12-2H 17 cm−1, 14′-2H 14 cm−1, 14′-13C 20 cm−1, 10,12-2H2 18 cm−1, and 12,14-2H2 18 cm−1.