Хром и его соединения
Таблица Cr.М1. Значения молекулярных постоянных, а также s и px, принятые для расчета термодинамических функций CrO2, CrO3, CrO3‑, Cr2O, Cr2O2, Cr2O3, CrOH, CrOOH, Cr(OH)2, CrO(OH)2, CrO2OH, CrO2(OH)2, Cr(OH)3, Cr(OH)4, CrO(OH)4, CrOF, CrO2F, CrOF2, CrOF3, CrOF4, CrO2F2, CrOCl, CrO2Cl, CrOCl2, CrOCl3, CrOCl4 и CrO2Cl2.
Молекула |
n1 |
n2 |
n3 |
n4 |
n5 |
n6 |
IАIБIC×10117 |
s |
px |
|
|
|
см-1 |
|
|
г3×см6 |
|
|
CrO2 |
895 |
220 |
975 |
- |
- |
- |
2.24×102 |
2 |
3 а |
CrO3 |
890 |
б |
991(2) |
376(2) |
- |
- |
1.861×103 |
6 |
1 а |
CrO3‑ |
865 |
59 |
944(2) |
323(2) |
- |
- |
2.46×103 |
6 |
2 а |
Cr2O |
495 |
114 |
804 |
- |
- |
- |
2.45×103 |
2 |
11 а |
Cr2O2(9А1g) |
649 |
599 |
574 |
448 |
328 |
175 |
1.004×104 |
4 |
9 |
Cr2O2(9A²) |
935 |
805 |
355 |
201 |
143 |
49 |
5.21×103 |
1 |
9 а |
Cr2O3(5A¢) |
971 |
694 |
690 |
459 |
374 |
308 в |
23.5×103 |
1 |
5 |
Cr2O3(7A¢) |
925 |
921 |
724 |
381 |
251 |
150 в |
83.98×103 |
2 |
7 а |
CrOH |
3666 |
650 |
636 |
- |
- |
- |
5.9 |
1 |
6 а |
CrOOH |
3797 |
953 |
699 |
493 |
435 |
141 |
219 |
1 |
4 а |
Cr(OH)2 |
3763 |
3762 |
713 |
608 |
536 |
440 в |
314.5 |
2 |
10 а |
CrO(OH)2 |
3756 |
3751 |
1028 |
734 |
665 |
571 в |
4.05×103 |
1 |
3 а |
CrO2OH |
3720 |
1022 |
1014 |
726 |
530 |
525 в |
2.75×103 |
1 |
2 а |
CrO2(OH)2 |
3689 |
3684 |
1070 |
1047 |
759 |
738 в, г |
89.09×102 |
2 |
1 |
Cr(OH)3 |
3734 |
3729(2) |
715(2) |
633 |
601 |
586(2) в |
5.8×103 |
3 |
4 а |
Cr(OH)4 |
3702 |
3698 |
3688 |
3685 |
787 |
744 |
1.5×104 |
1 |
3 а |
CrO(OH)4 |
3666 |
3662 |
3655 |
3653 |
1084 |
993 в |
2.57×104 |
1 |
1 |
CrOF |
946 |
635 |
152 |
- |
- |
- |
2.44×102 |
1 |
4 |
CrO2F |
1018 |
1017 |
691 |
350 |
225 |
84 |
2.77×103 |
1 |
2 а |
CrOF2 |
1045 |
709 |
642 |
234 |
182 |
163 |
4.15×103 |
2 |
3 а |
CrOF3 |
1020 |
780(2) |
720 |
310(2) |
260 |
220(2) |
1.1×104 |
3 |
4 а |
CrOF4 |
1028 |
744(2) |
686 |
598 |
320(2) |
320 |
2.457×104 |
4 |
1 |
CrO2F2 |
1016 |
1006 |
789 |
727 |
380 |
304 в |
9.42×103 |
2 |
1 а |
CrOCl |
932 |
404 |
123 |
- |
- |
- |
1.14×103 |
1 |
4 а |
CrO2Cl |
1016 |
1008 |
470 |
314 |
174 |
53 |
9.2×103 |
1 |
2 а |
CrOCl2 |
1043 |
472 |
384 |
201 |
129 |
113 |
3.88×104 |
2 |
3 а |
CrOCl3 |
1018 |
462(2) |
410 |
250(2) |
160 |
125(2) |
1.6×105 |
3 |
4 а |
CrOCl4 |
1097 |
378(2) |
365 |
275(2) |
248 |
224 в |
4.4×105 |
4 |
1 |
CrO2Cl2 |
1002 |
991 |
502 |
470 |
355 |
260 в |
6.61×104 |
1 |
2 |
Примечания.
а Энергии возбужденных состояний (в см-1) и их мультиплетность:
CrO2 3000(1), 6000(3), 8000(1), 13000(6), 15000(1), 16000(5), 17000(1)
CrO3 8000(3)
CrO3‑ 10000(2)
Cr2O 600(9), 5000(9), 7000(9), 11000(9), 12000(18), 13500(18), 14000(9), 15000(9)
Cr2O2 6000(9), 11000(18), 13000(9), 16000(18)
Cr2O2(9A²) 2000(9)
Cr2O3(7A¢) 1500(7)
CrOH 8000(12), 9000(4), 10000(6), 12500(20), 16000(8)
CrOOH 7000(8), 9500(16), 16000(14), 19000(2)
Cr(OH)2 4000(5), 11000(3), 18000(20)
CrO(OH)2 9000(2), 12000(6), 14000(7), 18000(2), 20000(2)
CrO2OH 400(2), 20000(2)
Cr(OH)3 7000(8), 9500(16), 16000(14), 19000(2)
Cr(OH)4 9000(2), 13000(13), 18000(2), 20000(2)
CrOF 7000(8), 9500(16), 16000(14), 19000(2)
CrO2F 400(2), 20000(2)
CrOF2 9000(2), 12000(6), 14000(7), 18000(2), 20000(2)
CrOF3 13000(4), 20000(2)
CrO2F2 14430(1), 15230(1), 15710( 3), 16140(3), 21650(1),
21860(1), 21880(3), 22270(3), 22520(3), 22830(3), 24800(1), 25090(1)
CrOCl 6000(4), 7000(4), 8000(8), 10000(8), 14000(2), 15000(4), 17000(8), 19000(2)
CrO2Cl 300(2), 16000(2)
CrOCl2 7000(2), 10000(6), 12500(6), 14000(1), 16000(2)
CrOCl3 12970(4), 20000(2)
CrO2Cl2 16962(3), 17234(1), 18500(8)
б колебательный вклад гармонической частоты n2 = 207 см-1 заменен вкладом инверсионного
колебания, рассчитанным с потенциалом V(r) = a + br2 + cr4 + dr6 + er8,
где a = 578.68, b = -22765.634, c = 231301.57, d = -148343.76, e = 158546.40 см-1/радианn
в Частоты колебаний (в см-1):
Cr2O3(5A¢) n7 = 269, n8 = 215, n9 = 124
Cr2O3(7A¢) n7 = 91, n8 = 87, n9 = 71
Cr(OH)2 n7 = 375, n8 = 283, n9 = 69
CrO(OH)2 n7 = 522, n8 = 257, n9 = 217, n10 = 202, n8 = 124, n9 = 92
CrO2OH n7 = 336, n8 = 230, n9 = 41
CrO2(OH)2 n7 = 710, n8 = 710, n9 = 393, n10 = 312, n11 = 284, n12 = 260, n13 = 218
Cr(OH)3 n7 = 366(2), n8 = 251, n9 = 179(2), n10 = 159
Cr(OH)4 n7 = 721, n8 = 714, n9 = 706, n10 = 681, n11 = 660, n12 = 656, n13 = 333,
n14 = 305, n15 = 295, n16 = 220, n17 = 188, n18 = 187, n19 = 169, n20 = 168
n21 = 127
CrO(OH)4 n7 = 899, n8 = 813, n9 = 746, n10 = 688, n11 = 676, n12 = 628, n13 = 534,
n14 = 519, n15 = 510, n16 = 433, n17 = 404, n18 = 363, n19 = 329, n20 = 315
n21 = 300, n22 = 269, n23 = 131, n24 = 79
CrOF4 n7 = 277, n8 = 271(2), n9 = 123
CrO2F2 n7 = 275, n8 = 274, n9 = 210
CrOCl4 n7 = 210, n8 = 148(2), n9 = 39
CrO2Cl2 n7 = 224, n8 = 212, n9 = 142
г V0 = 1258, V0¢ = 1414×см-1, Iпр = 0.1193×10-39 г×см2, sm = 1, nm = 1
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