| Observed frequencies (in cm-1) |
Calculated frequencies (in cm-1) |
IR intensity |
Raman intensity |
PED(%) |
|
Unscaled frequencies |
Scaled frequencies |
| - |
- |
21 |
20 |
0.3095 |
3.3950 |
τHOAsC(92) |
| - |
72 |
83 |
80 |
1.3174 |
3.2423 |
τring(44),δAsCCC(35), δOCOAs(15) |
| - |
101 |
102 |
97 |
3.0357 |
0.9722 |
δAsCC(43),δOCOAs(20), βOAsO(11) |
| - |
130 |
142 |
136 |
44.0230 |
1.9336 |
δOAsO(39),τHOAsC(36), βAsCC(11) |
| - |
- |
177 |
169 |
4.0025 |
0.2230 |
δOCOAs(26), τring(22) |
| - |
192 |
228 |
218 |
21.8340 |
1.5824 |
τHOAsC(39), δOAsO(27) |
| - |
241 |
233 |
223 |
23.5420 |
9.8303 |
νAsC(35),βOAsO(29) |
| - |
- |
282 |
269 |
25.0923 |
1.2246 |
δOCOAs(44),βOAsO(13),τHOAsC(11) |
| - |
- |
295 |
282 |
31.7708 |
1.5450 |
βOAsO(43), τHOAsC(24) |
| - |
- |
334 |
319 |
117.3647 |
2.8311 |
βOAsO(54), νAsC(13) |
| - |
- |
349 |
334 |
104.0826 |
1.3573 |
τHOAsC(28), δAsCCC(14) |
| - |
- |
352 |
337 |
54.6721 |
0.9138 |
δOCOAs(28) δAsCCC(14) |
| - |
- |
354 |
339 |
7.7920 |
0.1847 |
τHNCC(83) |
| - |
362 |
406 |
388 |
0.2051 |
1.0149 |
βNCC(64), βAsCC(10) |
| - |
401 |
435 |
416 |
330.4568 |
8.7377 |
βHNCC(83) |
| - |
415 |
436 |
417 |
1.4405 |
0.0717 |
τring(79),τNCCC(10) |
| 516 |
- |
537 |
514 |
16.2490 |
0.5584 |
βring(54), τHOAsC(17) |
| 610 |
- |
619 |
592 |
2.7211 |
4.5056 |
βring(54), νAsC(23) |
| 616 |
613 |
649 |
620 |
1.6575 |
5.4753 |
βring(79) |
| 636 |
634 |
681 |
651 |
130.2023 |
24.6207 |
νAsO(93) |
| - |
- |
701 |
670 |
130.6002 |
15.7532 |
νAsO(94) |
| 744 |
726 |
773 |
739 |
0.2750 |
0.1604 |
τring(48), τNCCC(22) |
| - |
- |
835 |
799 |
14.0495 |
25.8755 |
νCC(28), τHCCN(22), νCN(13) |
| - |
808 |
838 |
801 |
2.1537 |
8.1850 |
τHCCN(63), τHCCC(11) |
| 826 |
830 |
848 |
810 |
47.5682 |
3.2203 |
τHCCN(57), τHCCC(14) |
| - |
- |
971 |
928 |
41.1559 |
18.3490 |
νAsO(74) ,βHOAs(18) |
| |
|
992 |
948 |
111.4965 |
1.9601 |
βHOAs(95) |
| 975 |
- |
1009 |
965 |
138.4029 |
1.9005 |
βHOAs(57), νAsO(19) |
| 976 |
- |
1014 |
970 |
7.0007 |
0.0720 |
τHCCC(51), τHCCN(20), τring(12) |
| - |
- |
1025 |
980 |
18.6809 |
7.2956 |
βHCC(40), νCC(22) |
| - |
- |
1037 |
992 |
0.5479 |
0.1766 |
τHCCC(56), τHCCN(20), τring(18) |
| 1019 |
1012 |
1071 |
1024 |
0.4095 |
0.4537 |
βHNC(62), νCC(22) |
| 1096 |
1094 |
1115 |
1066 |
75.6260 |
33.3023 |
νCC(49), νCAs(16) |
| - |
- |
1156 |
1105 |
3.5097 |
0.5701 |
βHCC(47), νCC(27) |
| 1140 |
- |
1215 |
1162 |
39.2371 |
5.9179 |
βHCC(72) |
| 1234 |
- |
1328 |
1269 |
101.4780 |
7.8833 |
νCN(51) |
| - |
1289 |
1341 |
1282 |
10.4023 |
1.1439 |
νCC(39), βHCC(33) |
| 1326 |
- |
1372 |
1312 |
1.1265 |
0.3068 |
βHCC(24)νCC(23), βHCN(14) |
| 1414 |
- |
1465 |
1400 |
6.2808 |
0.2752 |
νCC(40), βHCC(31) |
| 1474 |
- |
1545 |
1477 |
58.6103 |
3.1089 |
βHCC(53) |
| - |
- |
1613 |
1542 |
9.2024 |
1.2640 |
νCC(71) |
| 1571 |
- |
1647 |
1575 |
72.1447 |
49.1366 |
νCC(37), βHNH(20) |
| 1602 |
1594 |
1670 |
1596 |
265.0262 |
48.4841 |
βHNH(68) |
| 2820 |
- |
3182 |
3042 |
11.7466 |
100.3993 |
νCH(91) |
| 2905 |
2993 |
3183 |
3043 |
11.7947 |
91.5474 |
νCH(98) |
| 3033 |
3061 |
3206 |
3065 |
4.7684 |
86.0142 |
νCH(99) |
| - |
3150 |
3210 |
3069 |
3.5663 |
102.8208 |
νCH(92) |
| 3405 |
- |
3595 |
3437 |
52.4562 |
263.5943 |
νNH(100) |
| - |
3482 |
3709 |
3506 |
26.5557 |
64.5784 |
νNH(100) |
| - |
3603 |
3799 |
3633 |
101.1245 |
89.7011 |
νOH(99) |
| - |
- |
3805 |
3638 |
99.7559 |
227.7897 |
νOH(99) |
|