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Table 2
The band positions and relative integrated absorbances for the studied PAHs in H2O ice at 15 K, and in an argon matrix at 10 K, as well as band positions computed using DFT.
| PAH | Position (cm-1) | Relative I.A. | A band a | |||
| H2O | Ar | Theoryb | H2O | Ar | H2O | |
|
|
||||||
| Ant | 1001.7 | 1000.9 | 1000.7 | 0.7 | 0.8 | 6.8 |
| 1103.8 | 0.1 | 0.8 | ||||
| 1127.4 | 0.2 | 1.9 | ||||
| 1149.7 | 1149.2 | 1156.2 | 0.9 | 0.7 | 9.0 | |
| 1157.7 | ||||||
| 1168.2 | 1166.9 | 1169.3 | 0.6 | 0.5 | 6.2 | |
| 1186.8 | 0.1 | 1.0 | ||||
| 1272.3 | 1272.5 | 1274.6 | 0.5 | 0.6 | 5.7 | |
| 1316.0 | 1318.1 | 1311.2 | 1.0 | 1.0 | 10.4 | |
| 1328.3 | 0.2 | 2.1 | ||||
| 1347.7 | 1345.6,1346.4 | 1342.6 | 0.3 | 0.2 | 3.5 | |
| 1400.1 | 0.3 | 3.1 | ||||
| 1450.9 | 1450.5 | 1455.3 | 1.4 | 0.4 | 14.6 | |
| 1460.0 | 1456.1 | 0.3 | ||||
| 1537.9 | 1542.0 | 1533.7 | 0.8 | 0.8 | 8.7 | |
| 1563.1 | 0.1 | 0.8 | ||||
| 1610.5 | 1620.0 | 0.2 | ||||
| 1624.4 | 1627.8 | 0.8 | 0.4 | 7.9 | ||
| Py | 1065.5 | 0.1 | 2.8 | |||
| 1096.4 | 1097.3 | 1092.3 | 0.2 | 0.2 | 5.1 | |
| 1136.6 | 0.1 | 2.1 | ||||
| 1176.3 | 1164.5 | 1160.8 | 0.3 | 0.1 | 6.1 | |
| 1185.6 | 1183.9 | 1188.3 | 1.0 | 1.0 | 21.7 | |
| 1244.0 | 1243.0 | 1253.1 | 0.5 | 0.2 | 10.3 | |
| 1313.7 | 1312.1 | 1314.6 | 0.2 | 0.2 | 5.3 | |
| 1435.1 | 1434.8 | 1427.0 | 0.8 | 0.6 | 17.3 | |
| 1427.5 | ||||||
| 1452.0 | 0.1 | 2.8 | ||||
| 1468.4 | 1471.0 | 1476.2 | 0.1 | 0.1 | 1.8 | |
| 1488.4 | 0.2 | 3.3 | ||||
| 1594.1 | 1586.1 | 0.6 | 12.7 | |||
| 1600.5 | 1604.0 | 1597.0 | 0.6 | 0.4 | 12.0 | |
| BghiP | 1038.3 | 1036.3 | 1037.6 | 0.2 | 0.1 | 4.4 |
| 1085.9 | 1087.8 | 1082.2 | 0.2 | 0.0 | 3.6 | |
| 1093.4 | 1091.9 | 0.0 | ||||
| 1132.0 | 1132.7 | 1136.6 | 0.4 | 0.3 | 8.5 | |
| 1148.0 | 1149.2 | 1152.7 | 0.8 | 0.1 | 17.8 | |
| 1186.5 | 1186.9 | 1171.1 | 0.3 | 0.0 | 6.2 | |
| 1206.6 | ||||||
| 1203.5 | 1206.7 | 1203.3 | 0.5 | 0.3 | 10.8 | |
| 1258.7 | 1259.1 | 1261.5 | 0.1 | 0.0 | 1.7 | |
| 1309.0 | ||||||
| 1305.6 | 1302.9,1307.0 | 1292.3 | 0.7 | 0.3 | 15.8 | |
| 1334.6 | 1338.6 | 0.3 | 6.3 | |||
| 1342.2 | 1342.6 | 1336.0 | 1.0 | 1.0 | 22.5 | |
| 1374.9 | 1350.0 | 1375.8 | 0.1 | 0.2 | 1.6 | |
| 1398.9 | ||||||
| 1392.8 | 1394.7 | 1397.8 | 0.5 | 0.4 | 11.7 | |
| 1414.8 | 1416.0,1417.1 | 1426.2 | 0.5 | 0.3 | 11.4 | |
| 1447.8 | 1449.0,1451.1 | 1441.3 | 0.8 | 0.6 | 17.8 | |
| 1479.7 | 0.2 | 4.7 | ||||
| 1512.8 | 1517.8 | 1513.3 | 0.2 | 0.0 | 3.5 | |
| 1527.4 | 0.1 | |||||
| 1582.8 | 1602.1 | 1586.4 | 0.4 | 0.2 | 9.1 | |
| 1598.5 | 1586.6 | 0.3 | 6.5 | |||
| 1614.7 | 0.1 | 1.3 | ||||
| 1618.9 | 0.1 | 2.4 | ||||
Notes.
(b)
Values taken from: Langhoff (1996).
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