Philosophical Magazine Letters, 65(6), 291-298 (1992)
Frequencies, cm-1, for C60: MP denotes use of Musgrave-Pople potential.
mode | LDF | MP | MNDO(1) | Empirical(2) |
Ag | ||||
1416 | 1472 | 1667 | 1830 | |
582 | 538 | 610 | 510 | |
T1g | ||||
1253 | 1350 | 1410 | 1662 | |
820 | 955 | 865 | 1045 | |
661 | 700 | 627 | 513 | |
T3g | ||||
1310 | 1386 | 1483 | 1900 | |
1129 | 1104 | 919 | 951 | |
803 | 857 | 784 | 724 | |
514 | 633 | 591 | 615 | |
Gg | ||||
1466 | 1449 | 1650 | 2006 | |
1326 | 1392 | 1404 | 1813 | |
1094 | 1188 | 1235 | 1327 | |
977 | 970 | 856 | 657 | |
517 | 601 | 579 | 593 | |
454 | 489 | 491 | 433 | |
Hg | ||||
1516 | 1446 | 1722 | 2085 | |
1395 | 1412 | 1596 | 1910 | |
1193 | 1261 | 1407 | 1575 | |
1106 | 1145 | 1261 | 1292 | |
829 | 825 | 924 | 828 | |
787 | 818 | 771 | 526 | |
437 | 471 | 447 | 413 | |
288 | 276 | 263 | 274 | |
Au | ||||
991 | 1138 | 972 | 1243 | |
T1u | ||||
1403 | 1445 | 1628 | 1868 | |
1127 | 1232 | 1353 | 1462 | |
647 | 656 | 719 | 618 | |
614 | 632 | 577 | 478 | |
T3u | ||||
1494 | 1433 | 1687 | 1954 | |
1164 | 1319 | 1314 | 1543 | |
1009 | 1062 | 1134 | 1122 | |
850 | 844 | 776 | 526 | |
363 | 370 | 348 | 358 | |
Gu | ||||
1408 | 1427 | 1587 | 2004 | |
1286 | 1354 | 1436 | 1845 | |
1115 | 1102 | 1110 | 1086 | |
936 | 990 | 914 | 876 | |
749 | 804 | 750 | 663 | |
374 | 384 | 362 | 360 | |
Hu | ||||
1507 | 1449 | 1709 | 2086 | |
1317 | 1395 | 1467 | 1797 | |
1203 | 1195 | 1344 | 1464 | |
909 | 914 | 822 | 849 | |
634 | 762 | 706 | 569 | |
510 | 542 | 546 | 470 | |
303 | 404 | 403 | 405 |
(1) Stanton and Newton (1988).
(2) Newton and Stanton (1986).
[Abstract] [Introduction] [Method] [Vibrational modes] [Conclusions] [Acknowledgements] [References] [Table 1] [Table 2] [Table 3] [Table 4] [Figure 1] [Figure 2]
Christopher D. Latham | HTML 3.2: [W3C][WDG] |