Table 2 Experimental and simulated vibrational (cm⁻¹) values of 3a and 3b

3086 (11.6)

–

υ_sCH_arom.

3085 (13.1)

2916

υ_sCH_arom.

3077 (21.9)

2916

υ_as, υ_sCH_arom.

3077 (21.2)

–

υ_asCH_arom.

3001 (22.6)

–

υ_asCH₂

3005 (21.2)

–

υ_asCH₂

2986 (46.1)

–

υ_asMe

2982 (42.8)

–

υ_asMe

2980 (40.6)

–

υ_asMe

2976 (59.1)

–

υ_asMe,υ_sCH₂

2965 (16.9)

–

υ_asCH₂

2966 (17.0)

–

υ_asCH₂

2954 (58.4)

2848

υ_asCH₂

2954 (58.6)

2848

υ_asCH₂

2945 (69.5)

–

υ_asCH₂

2936 (24.8)

–

υ_asCH₂

2923 (32.5)

–

υ_asCH₂

2926 (31.5)

–

υ_sCH₂, υ_asCH₂

2911 (35.6)

–

υ_sMe

2914 (21.4)

–

υ_sMe

2899 (80.5)

–

υ_sCH₂

2898 (43.2)

–

υ_sCH₂, υ_asCH₂

2893 (62.3)

–

υ_sCH

2895 (48.8)

–

υ_sCH₂

2245 (119.0)

2215

υ_sC≡N

2245 (119.1)

2214

υ_sC≡N

2231 (13.9)

–

υ_asC≡N

2230 (13.8)

–

υ_asC≡N

1594 (64.5)

1570

υ_sC=C_arom.

1603 (63.5)

1574

υ_sC=C_arom.

1553 (579.0)

1559

υ_sC=C_aliphatic

1568 (10.9)

–

υ_sC=C_arom.

1526 (18.4)

–

υ_asC=C_arom.

1553 (578.2)

1559

υ_sC=C_aliphatic

1483 (61.2)

1461

υ_sC–N–C

1526 (19.5)

–

υ_asC=C_arom.

ρCH₂

1483 (61.4)

1472

υ_sC–N–C

1453 (112.5)

–

ρCH₂

1456 (13.2)

–

ρCH₂

1448 (189.8)

–

ρCH₂

1453 (70.8)

–

ρCH₂

1428 (41.4)

–

δCH_arom.

1448 (217.5)

1458

υ_asC=C_arom.

1395 (230.2)

1405

υ_asC=C_arom.

1428 (42.2)

–

βCH_arom.

1352 (23.2)

–

βCH

1395 (233.7)

1402

υ_asC=C_arom.

1337 (206.7)

1364

υ_sN–Ph,

1352 (21.6)

–

βCH

βCH₂

1338 (189.1)

1360

υ_sN–C, γCH₂

1311 (24.2)

1323

βCH₂, ωCH₂

1337 (23.4)

–

βCH₂

1303 (34.0)

–

βCH₂, ωCH₂

1312 (28.6)

–

βCH₂

1294 (14.0)

–

υ_asC=C_arom.

1300 (53.9)

–

βCH₂

1290 (20.0)

–

ωCH₂

1286 (98.9)

–

βCH₂

1287 (87.5)

–

ωCH₂

1279 (41.5)

–

υ_sN–Ph

1279 (31.9)

–

υ_s CH₂–N–Ph

1275 (27.8)

–

βCH₂

1276 (39.2)

–

βCH₂

1238 (97.0)

–

βCH_arom.

1238 (104.4)

1220

βCH₂, υ_s

1232 (90.2)

–

βCH_arom.

CH₂–N–Ph

1208 (138.7)

1218

βCH_arom.

βCH_arom.

1206 (67.4)

–

βCH₂

1233 (63.2)

–

υ_s CH₂–N–Ph

1180 (22.7)

–

ωCH₂

1212 (38.8)

–

γCH₂

1163 (120.0)

–

γCH_arom.

1207 (168.5)

–

υ_sC–C=CH

1198 (27.7)

–

ωCH₂

1133 (22.7)

–

υ_sC–CN

1163 (121.8)

–

βCH_arom.

1127 (23.4)

–

ωCH₂

1133 (23.1)

υ_asC–CN

1119 (13.3)

–

βCH_arom.

1128 (24.0)

–

τCH₂

1081 (15.0)

–

υ_sC–S–C

1119 (13.1)

–

βCH_arom.

927 (10.9)

–

γCH

1083 (19.3)

–

υ_sN–CH₂

810 (22.3)

805

γCH_arom.

927 (10.6)

930

γCH

741 (26.2)

740

γPh

808 (22.6)

814

γCH_arom.

735 (27.2)

–

γCH_arom.

742 (10.3)

–

γCH_arom.

710 (17.5)

–

γPh

740 (15.2)

740

γCH_arom.

636 (12.4)

607

γC=C–CN

γCH₂

429 (15.0)

–

γPh

734 (39.0)

–

γCHarom.

βPh

709 (12.2)

–

γPh

588 (12.4)

–

γC=C–CN

616 (10.0)

608

γPh

429 (15.5)

γPh