Table 1 Selected characteristic vibrionic features of RAD, 9 and 5 in theory with application of 6-311G(d,p) basis and experiment bands of 9 and 5

Def. F-phenyl ring

601

Def. all molecule

Def. oxazolidinone ring

C–H b op in F-phenyl ring

C–C–O b in oxazolidinone ring + C–C–N b in triazole ring and in methyloacetamide group

750

N–H w in triazole ring

C–H b op in F-phenyl ring

798

N–H op in 1,2,3-triazole ring + N–H op in link + C–H w in F-phenyl ring

838

C–H w in 1,2,3-triazole ring

872

Breathing oxazolidinone and F-phenyl rings

C–H b op in F-phenyl ring

906

Def. F-phenyl ring + C–O s in oxazolidinone ring

C–H r in CH₂ group

975

C–N–C b in link + C–H t in link + C–C s in 1,2,3-triazole ring

1020

C–C s in oxazolidinone ring

1036

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

C-O s in COH₃

C–C s between in oxazolidinone ring and methylacetamide group

C–N–C b in link + C–H t in methylacetamide group

C–H r in F-phenyl ring + C–N s in oxazolidinone ring

C–H b

1136

C–H sc in F-phenyl ring + C–F s in F-phenyl ring

C–O s in oxazolidinone ring + C–H b

C–H b in F-phenyl ring + C–F s + C–N s

1202

C–N s in oxazolidinone ring + C–H r + N–H r in 1,2,3-triazole ring

C–N s + C–H sc in oxazolidinone ring + O–H b

1225

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

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

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

C–H t in methylacetamid group + C–H sc in oxazolidinone ring + C–H r in phenyl and F-phenyl ring

1293

C–C s in phenyl and F-phenyl ring + C–H w in phenyl ring and methyloacetamide group

C–C s between phenyl and F-phenyl ring + C–C s in phenyl and F-phenyl ring

1329

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

C–H b in oxazolidinone ring

1417

N–H r in 1,2,3-triazole ring + methyloacetamide group

1442

N–H r in methyloacetymide group

C–H sc in oxazolidinone ring + C–H r in F-phenyl ring + C–N s between oxazolidinone and F-phenyl rings

1530

C–C s between phenyl and F-phenyl ring + C–H r in phenyl and F-phenyl ring

1577

C=C s + C–C s in phenyl and F-phenyl rings

1629

C=C s in phenyl and F-phenyl rings

1676

C=O s in methylacetamide group

1754

C=O s in oxazolidinone ring

C–H s in COH₃

2928

C–H s in oxazolidinone ring

2960

C–H s in oxazolidinone ring

C–H s in oxazolidinone ring

3114

C–H s in F-phenyl ring

3419

N–H s

O–H s