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. 2019 May 30;20(11):2671. doi: 10.3390/ijms20112671

Table 1.

Principal FT-IR bands of PCDDs. Reprinted with permission from [19], copyright 2014.

PCDD Congener Mode Frequency Range (1020–1205 and 1265–1510 cm−1) GC/MI/FT-IR [33] Frequency Range (1020–1205 and 1265–1510 cm−1) Vapor-Phase FT-IR [34] Frequency Range (1020–1205 and 1265–1510 cm−1) Condensed-Phase FT-IR [19]
dibenzo-p-dioxin C=C aromatic ring skeletal vibrations 1489 1489
1390
C-O-C asymmetric stretch 1295
1290 1287
C-C-C tri-ring bending 1197
1117
Ring breathing 1026 1112
1030
2,3,7,8-TCDD C=C aromatic ring skeletal vibrations 1495
1488 1489 1484
1470 1465 1465
1391 1395
C-O-C asymmetric stretch 1330 1321 1326
1313
1306 1306 1306
C-C-C tri-ring bending 1176 1173 1173
Ring breathing 1117 1114 1114
1106 1103 1103
1,2,3,7,8-PeCDD C=C aromatic ring skeletal vibrations 1493 1489
1475 1471 1470
1465 1447 1449
1399 1394 1395
C-O-C asymmetric stretch 1319 1328
1313 1311 1314
1308
Ring breathing 1113 1108 1111
1,2,3,7,8,9-HxCDD C=C aromatic ring skeletal vibrations 1480
1452 1445 1446
1400 1391 1396
C-O-C asymmetric stretch 1333 1328
1314 1312 1309
1308
1304
C-C-C tri-ring bending 1155
1147 1143
1,2,3,6,7,8-HxCDD C=C aromatic ring skeletal vibrations 1481
1455 1445 1448
1400 1392 1395
C-O-C asymmetric stretch 1333 1328
1318 1310 1312
C-C-C tri-ring bending 1150
1147 1143
1,2,3,4,6,7,8-HpCDD C=C aromatic ring skeletal vibrations 1480
1457 1451 1452
1447
1434 1422 1428
1403 1392 1398
C-O-C asymmetric stretch 1334 1329
1297 1299
C-C-C tri-ring bending 1148 1153
1144
OCDD C=C aromatic ring skeletal vibrations 1436
1424 1429
1419
1402
1399