The IR Spectra, Molar Absorptivity, and Integrated Molar Absorptivity of the C₇₆-D₂ and C₈₄-D₂:22 Isomers

Table 1

Experimentally obtained vibrational frequencies (cm⁻¹) of C₇₆-D₂ [35] and theoretically calculated values between 400 and 2000 cm⁻¹ [44, 45].

IR	IR	IR	Calc.	Calc.	Calc.
1635.1	1631.4	1633.1	1635
1605.4			1607	1602.7
1581.6			1582	1581.4
	1557.9		1556		1556.0
		1551.5	1549		1555.7
1541.3	1541.6			1541.4
1493.8	1492.7	1493.4	1494	1489.7	1494.9
1461.8	1460.2	1461.1	1464	1463.9	1463.4
1397.0	1399.8	1398.7	1401		1400.5
1385.9	1385.4	1385.6	1388	1386.5	1390.7
1363.8	1363.1	1364.2	1369	1365.1	1366.0
1312.1	1311.4	1312.4	1312	1310.9	1309.4
		1275.6		1275.7	1275.9
1273.1			1270	1274.0
	1263.1		1259		1262.5
1248.4	1247.5	1247.6	1253	1249.4	1246.4
	1210.5	1208.6			1208.7
1206.3			1204
1187.2	1185.0	1187.0	1189	1180.4	1189.2
1160.3		1161.6	1165	1157.7	1162.2
1121.9	1121.8	1122.0	1124	1126.1	1125.7
	1100.9		1100		1101.5
1081.6	1081.8	1081.6	1079	1072.3	1090.3
	1057.2	1056.4	1058	1054.7	1065.4
1028.6	1030.4		1027		1026.5
		1024.2		1024.9
967.1	968.4	967.0	971	942.1	991.5
893.3	891.8	892.2	895	897.7	894.1
822.5	821.1	823.4	823	821.0	827.1
792.2	796.4		799	808.7	795.0
		788.8	787	781.7	787.0
742.1		742.9	746	742.0	741.3
	739.9		735	739.6	740.2
	704.0	704.8	707	704.9	704.5
703.0				702.4	703.5
665.2	663.6		667	665.4	665.2
		661.1	662		660.6
647.3	648.3	645.8	652	642.7	650.3
605.3	604.6	602.9	596		596.8
537.6	538.8		543	538.5	536.9
		532.7	534	531.3	535.6
	494.1		494	493.8	494.5
483.9		486.6	485	485.8	486.5
	476.4		477	476.7	479.2
461.8		460.6	460		459.2
456.2			457	456.3	456.9
	451.8		454	452.2	454.0
		436.0		434.8	436.0
426.5	429.3				425.3
		405.2	406	405.0	399.3

[35].
[44].
[45].