νexp.IR | \(v_{{\varvec{exp}.\varvec{R}}}\) | Theory DTF | Bands assignment | ||||||
---|---|---|---|---|---|---|---|---|---|
RADa | 9 | 5 | RADa | 9 | 5 | RADa | 9 | 5 | |
542 | 522 | 547 | 522 | 552 | 528 | Def. F-phenyl ring | |||
601 | 594 | 594 | 592 | 602 | 609 | Def. all molecule | |||
666 | 676 | 667 | 680 | 679 | Def. oxazolidinone ring | ||||
681 | 693 | 707 | 699 | C–H b op in F-phenyl ring | |||||
745 | 737 | 743 | 750 | 737 | 744 | 757 | 751 | C–C–O b in oxazolidinone ring + C–C–N b in triazole ring and in methyloacetamide group | |
750 | 760 | 753 | 752 | 777 | 763 | 763 | N–H w in triazole ring | ||
783 | 785 | C–H b op in F-phenyl ring | |||||||
798 | 803 | N–H op in 1,2,3-triazole ring + N–H op in link + C–H w in F-phenyl ring | |||||||
838 | 848 | 837 | 851 | 852 | 857 | C–H w in 1,2,3-triazole ring | |||
872 | 869 | 860 | 870 | 890 | 881 | 866 | Breathing oxazolidinone and F-phenyl rings | ||
874 | 857 | C–H b op in F-phenyl ring | |||||||
906 | 899 | 882 | 902 | 916 | 926 | 908 | Def. F-phenyl ring + C–O s in oxazolidinone ring | ||
957 | 930 | 987 | 964 | C–H r in CH2 group | |||||
975 | 976 | 969 | C–N–C b in link + C–H t in link + C–C s in 1,2,3-triazole ring | ||||||
1020 | 996 | 1020 | 1002 | 1014 | 1023 | 1013 | C–C s in oxazolidinone ring | ||
1036 | 1029 | 1012 | 1028 | 1012 | 1048 | 1053 | 1034 | C–O s in oxazolidinone ring + C–F s + C–H b in F-phenyl ring + C–J s + C–C s in oxazolidinone ring | |
1040 | 1043 | C-O s in COH3 | |||||||
1042 | 1073 | C–C s between in oxazolidinone ring and methylacetamide group | |||||||
1109 | 1068 | C–N–C b in link + C–H t in methylacetamide group | |||||||
1117 | 1097 | 1121 | 1083 | 1112 | 1098 | C–H r in F-phenyl ring + C–N s in oxazolidinone ring | |||
1133 | 1121 | 1118 | 1122 | C–H b | |||||
1136 | 1130 | C–H sc in F-phenyl ring + C–F s in F-phenyl ring | |||||||
1164 | 1147 | 1154 | 1148 | 1150 | 1142 | C–O s in oxazolidinone ring + C–H b | |||
1168 | 1186 | C–H b in F-phenyl ring + C–F s + C–N s | |||||||
1202 | 1201 | 1196 | 1197 | 1186 | 1208 | 1204 | C–N s in oxazolidinone ring + C–H r + N–H r in 1,2,3-triazole ring | ||
1233 | 1230 | 1228 | C–N s + C–H sc in oxazolidinone ring + O–H b | ||||||
1225 | 1227 | 1216 | 1230 | N–N r in methylacetamid group + C–C s in methylacetamid group + C–H r F-phenyl ring + C–H w in methylacetamid group | |||||
1230 | 1232 | C–C s between phenyl ring and link + C–N s in oxazolidinone ring + C–F s in F-phenyl ring + C–H t in oxazolidinone ring | |||||||
1249 | 1280 | 1246 | 1280 | 1285 | 1307 | C- F-phenyl ring + C–H b + C–N s between oxazolidinone and F-phenyl rings + C–N s and N–H b in methylacetamide group | |||
1253 | 1274 | 1298 | 1299 | 1251 | 1306 | 1322 | C–H t in methylacetamid group + C–H sc in oxazolidinone ring + C–H r in phenyl and F-phenyl ring | ||
1293 | 1273 | C–C s in phenyl and F-phenyl ring + C–H w in phenyl ring and methyloacetamide group | |||||||
1304 | 1277 | C–C s between phenyl and F-phenyl ring + C–C s in phenyl and F-phenyl ring | |||||||
1329 | 1338 | 1340 | 1326 | 1335 | 1341 | 1307 | 1358 | 1369 | C–N s between 1,2,3-triazole and oxazolidinone ring + C–N s in 1,2,3-triazole ring + C–H r in phenyl ring |
1357 | 1380 | 1367 | 1380 | 1385 | 1384 | C–H b in oxazolidinone ring | |||
1417 | 1413 | 1419 | 1416 | 1415 | 1421 | 1433 | 1427 | 1434 | N–H r in 1,2,3-triazole ring + methyloacetamide group |
1442 | 1443 | N–H r in methyloacetymide group | |||||||
1479 | 1495 | 1480 | 1497 | 1513 | 1518 | C–H sc in oxazolidinone ring + C–H r in F-phenyl ring + C–N s between oxazolidinone and F-phenyl rings | |||
1530 | 1528 | 1530 | 1502 | 1547 | C–C s between phenyl and F-phenyl ring + C–H r in phenyl and F-phenyl ring | ||||
1577 | 1570 | 1590 | 1593 | 1557 | 1597 | 1616 | C=C s + C–C s in phenyl and F-phenyl rings | ||
1629 | 1596 | 1612 | 1617 | 1596 | 1612 | 1598 | 1631 | 1645 | C=C s in phenyl and F-phenyl rings |
1676 | 1672 | 1659 | 1703 | 1681 | C=O s in methylacetamide group | ||||
1754 | 1749 | 1725 | 1748 | 1725 | 1786 | 1762 | 1756 | C=O s in oxazolidinone ring | |
2871 | 2998 | C–H s in COH3 | |||||||
2928 | 2928 | 2894 | 3023 | 3028 | 3029 | C–H s in oxazolidinone ring | |||
2960 | 2957 | 2953 | 3075 | 3069 | C–H s in oxazolidinone ring | ||||
2983 | 2980 | 3106 | 3106 | C–H s in oxazolidinone ring | |||||
3114 | 3099 | 3110 | 3248 | 3249 | 3248 | C–H s in F-phenyl ring | |||
3419 | 3410 | 3408 | 3637 | 3635 | N–H s | ||||
3521 | 3826 | O–H s |