Synthesis, Structural Analysis, and Biological Activities of Some Imidazolium Salts

Table 3

The experimental and theoretical vibrational wave numbers for the infrared spectra of 1,3-bis(2-hydroxyethyl) imidazolidinium bromide (L_A) with its symbolled and numbered atoms in Figure 1(a).

Vibrational assignments/vibrating atoms	Theory	Experiment
νs(OH)/(O1A-H1A, H2A-O2A)	3477	3358
νas(OH)/(O1A-H1A, H2A-O2A)	3477
νas(CH2)/(C4-H4, H′4-C4), (C5-H5,H′5-C5)	3093	3114–2822
νas(CH2)/(C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A)	3011
ν(NCHN)/(C1-H1)	2949
νs(CH)/(C2-H2, H3-C3)	2928
νs(CH2)/(C4-H4, H′4-C4), (C5-H5, H′5-C5)	2914
νas(CH)/(C2-H2, H3-C3)	2899
νs(CH2)/(C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A)	2880	2808
νas(CN)/(C1-N1,N2-C1)	1682	1630
νs(CN)/(C1-N1,N2-C1)	1543	1592
δsc(CH2)/(C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A)	1452	1463
δsc(CH2)/(C4-H4, H′4-C4), (C5-H5, H′5-C5)	1428
δ(OH)/(O1A-H1A), (O2A-H2A)	1411
γt(CH2) + δr(CH) + δ(NCHN)/(C4-H4, H′4-C4), (C2-H2, C3-H3), (C1-H1)	1375	1373
γw(CH2) + νs(CN)/(C5-H5, H′5-C5), (C7A-H7A, H′7A-C7A), (C4-N2, N1-C5)	1355	1330
δr(CH)/(C2-H2, H3-C3)	1345
γt(CH2) + δ(NCHN) + δr(CH)/(C6A-H6A,H′6A-C6A), (C1-H1), (C2-H2, H3-C3)	1323	1301
γt(CH2) + δ(NCHN) + δr(CH)/(C4-H4, H′4-C4), (C1-H1), (C2-H2, H3-C3)	1313
δ(NCHN) + γw(OH)/(C1-H1), (O1A-H1A, H2A-O2A)	1274	1265
γt(CH2) + δr(OH)/(C4-H4, H′4-C4), (C5-H5, H′5-C5), (O1A-H1A, O2A-H2A)	1212
γt(CH2) + δr(OH)/(C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A), (O1A-H1A, O2A-H2A)	1209
δsc(CH)/(C2-H2, H3-C3)	1149	1179
νas(CN)/(C3-N1, N2-C2) + (C4-N2, N1-C5)	1143
νas(CO) + νas(CC)/(C6A-O2A, O1A-C7A), (C6A-C4, C5-C7A)	1077	1080
νs(CO) + νs(CC)/(C6A-O2A, O1A-C7A), (C6A-C4, C5-C7A)	1076
δr(CH2) + νs(CO)/(C4-H4, H′4-C4), (C5-H5, H′5-C5), (C6A-O2A, C7A-O1A)	1047
δr (CH2) + νs (CN)/(C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A), (C3-N1, N2-C2)	997	956
γ(NCHN)/(C1-H1)	946
νs(CC)/(C6A-C4, C5-C7A)	930	917
δr(CH2) + νas(CO)/(C4-H4, H′4-C4), (C5-H5, H′5-C5), (C6A-O2A, O1A-C7A)	867	875
δr(CH2)/(C4-H4, H′4-C4), (C6A-H6A, H′6A-C6A)	861
γw(CH) + γ(NCHN)/(C2-H2, H3-C3), (C1-H1)	853	840
νas(CN) + δr(CH2)/(N2-C4, N1-C5), (C6A-H6A, H′6A-C6A), (C7A-H7A, H′7A-C7A)	677	673
γ(NCHN)/(C1-H1)	617	639

ν, stretching; δ, in-plane bending; γ, out-of-plane bending; s, symmetric; as, asymmetric; sc, scissoring; r, rocking; t, twisting; w, wagging.