Table I
Measured Wavenumbers of HCN and Calculated Wavenumbers of CO (In cm−1)
assignment | wavenumber |
---|
CO | 3–0 | R(7) | 6377.40675 |
H1 3 CN | c | P(10) | 6377.5990 |
H1 3 CN | a | P(30) | 6380.2100 |
CO | 3–0 | R(8) | 6380.30141 |
H1 3 CN | b | P(20) f | 6380.6761 |
H1 3 CN | c | P(9) | 6380.8244 |
H1 3 CN | b | P(20) e | 6380.8796 |
H1 2 CN | b | P(28) f | 6382.2901 |
H1 2 CN | b | P(28) e | 6382.5525 |
CO | 3–0 | R(9) | 6383.08973 |
H1 3 CN | c | P(8) | 6384.0137 |
H1 3 CN | a | P(29) | 6384.1903 |
H1 3 CN | b | P(19) f | 6384.2802 |
H1 3 CN | b | P(19) e | 6384.4782 |
H1 2 CN | d | P(17) f | 6385.5389 |
H1 2 CN | d | P(17) e | 6385.5861 |
CO | 3–0 | R(10) | 6385.77158 |
H1 2 CN | c | P(17) | 6386.1687 |
H1 2 CN | b | P(27) f | 6386.3431 |
H1 2 CN | b | P(27) e | 6386.6015 |
H1 2 CN | a | P(36) | 6387.1525 |
H1 3 CN | c | P(7) | 6387.1670 |
H1 3 CN | b | P(18) f | 6387.8475 |
H1 3 CN | b | P(18) e | 6388.0388 |
H1 3 CN | a | P(28) | 6388.1347 |
CO | 3–0 | R(11) | 6388.34681 |
H1 2 CN | d | P(16) f | 6389.1562 |
H1 2 CN | d | P(16) e | 6389.1944 |
H1 2 CN | c | P(16) | 6389.7745 |
H1 2 CN | b | P(26) f | 6390.3589 |
H1 2 CN | b | P(26) e | 6390.6132 |
CO | 3–0 | R(12) | 6390.81527 |
H1 3 CN | b | P(17) f | 6391.3782 |
H1 2 CN | a | P(35) | 6391.5365 |
H1 3 CN | b | P(17) e | 6391.5624 |
H1 3 CN | a | P(27) | 6392.0415 |
H1 2 CN | d | P(15) f | 6392.7304 |
H1 2 CN | d | P(15) e | 6392.7651 |
CO | 3–0 | R(13) | 6393.17681 |
H1 2 CN | c | P(15) | 6393.3392 |
H1 3 CN | c | P(5) | 6393.3628 |
H1 2 CN | b | P(25) f | 6394.3356 |
H1 2 CN | b | P(25) e | 6394.5849 |
H1 3 CN | b | P(16) f | 6394.8718 |
H1 3 CN | b | P(16) e | 6395.0489 |
CO | 3–0 | R(14) | 6395.43128 |
H1 2 CN | a | P(34) | 6395.8815 |
H1 3 CN | a | P(26) | 6395.9108 |
H1 2 CN | d | P(14) f | 6396.2658 |
H1 2 CN | d | P(14) e | 6396.2949 |
H1 3 CN | c | P(4) | 6396.4035 |
H1 2 CN | c | P(14) | 6396.8648 |
CO | 3–0 | R(15) | 6397.57855 |
H1 2 CN | b | P(24) f | 6398.2721 |
H1 3 CN | b | P(15) f | 6398.3281 |
H1 3 CN | b | P(15) e | 6398.4975 |
H1 2 CN | b | P(24) e | 6398.5168 |
H1 3 CN | c | P(3) | 6399.4101 |
CO | 3–0 | R(16) | 6399.61847 |
H1 3 CN | a | P(25) | 6399.7441 |
H1 2 CN | d | P(13) e | 6399.7863 |
H1 2 CN | a | P(33) | 6400.1880 |
H1 2 CN | c | P(13) | 6400.3543 |
CO | 3–0 | R(17) | 6401.55087 |
H1 3 CN | b | P(14) f | 6401.7473 |
H1 3 CN | b | P(14) e | 6401.9084 |
H1 2 CN | b | P(23) f | 6402.1712 |
H1 3 CN | c | P(2) | 6402.3770 |
H1 2 CN | b | P(23) e | 6402.4101 |
CO | 3–0 | R(18) | 6403.37564 |
H1 3 CN | a | P(24) | 6403.5396 |
H1 2 CN | c | P(12) | 6403.8018 |
H1 2 CN | a | P(32) | 6404.4549 |
CO | 3–0 | R(19) | 6405.09261 |
H1 3 CN | b | P(13) f | 6405.1304 |
H1 3 CN | b | P(13) e | 6405.2824 |
H1 2 CN | b | P(22) f | 6406.0292 |
H1 2 CN | b | P(22) e | 6406.2621 |
CO | 3–0 | R(20) | 6406.70164 |
H1 2 CN | c | P(11) | 6407.2097 |
H1 3 CN | a | P(23) | 6407.2977 |
CO | 3–0 | R(21) | 6408.20259 |
H1 3 CN | b | P(12) f | 6408.4756 |
H1 3 CN | b | P(12) e | 6408.6186 |
H1 2 CN | a | P(31) | 6408.6821 |
CO | 3–0 | R(22) | 6409.59530 |
a: the (2 0
0 0)–(0 0
0 0) band c: the (2 2
0 0)–(0 2
0 0) band
b: the (2 1
1 0)–(0 1
1 0) band d: the (2 2
2 0)–(0 2
2 0) band
*) The experimental uncertainties of HCN are estimated to be 0.0005 cm
−1.
*) The wavenumbers of CO are calculated from Dunham coefficients given in Ref.
12.
Table II
Input Data of the Least-Squares Fit of HCN
Iso | Band | Reference | Precision (cm−1) | Range of J | Number | rms (cm−1) |
---|
H1 2 CN | 2 00 0 – 0 00 0 | present | 0.0005 | P(31)–P(36) | 6 | 0.00031 |
| 2 00 0 – 0 00 0 | present, 1 | 0.0033 | P(37)–R(29) | 66 | 0.0036 |
| 2 00 0 – 0 00 0 | 13 | 0.0010 | P(27)–R(28) | 54 | 0.00039 |
| 2 00 0 – 0 00 0 | 14 | 0.0009 | R(16) | 1 | 0.00008 |
| 0 00 0 – 0 00 0 | 17,18,26,27 | 3.3 × 10−8 | R(0)–R(4) | 5 | 3.7 × 10−7 |
~5 0 × 10−6 |
| 2 00 0 – 0 00 0 | 21, 26,27 | 1.0 × 10−6 | R(0)–R(3) | 4 | 6.6 × 10−6 |
~5.0 × 10−6 |
H1 3 CN | 2 00 0 – 0 00 0 | present | 0.0005 | P(23)–P(30) | 8 | 0.00040 |
| 2 00 0 – 0 00 0 | present, 1 | 0.0033 | P(29)–R(39) | 69 | 0.0039 |
| 2 00 0 – 0 00 0 | 13 | 0.0010 | P(21)–R(20) | 32 | 0.00125 |
| 0 00 0 – 0 00 0 | 19,26,27 | 8.3 × 10−7 | R(0)–R(5) | 6 | 5.0 × 10−6 |
~5.0 × 10−6 |
| 2 00 0 – 0 00 0 | 26,27 | 5.0 × 10−6 | R(0)–R(3) | 3 | 4.7 × 10−6 |
H1 2 CN | 2 11 0 – 0 11 0 | present | 0.0005 | P(22)–P(28) | 14 | 0.00050 |
| 2 11 0 – 0 11 0 | present, 1 | 0.0033 | P(28)–R(33) | 152 | 0.0037 |
| 2 11 0 – 0 11 0 | 13 | 0. 0010 | P(18)–R(22) | 73 | 0.00096 |
| 0 11 0 – 0 11 0 | 22,23,24 | 2.0 × 10−7 | Q(1)–Q(20) | 18 | 6.8 × 10−7 |
~1.7× 10−6 |
| 0 11 0 – 0 11 0 | 20, 21,27 | 1.0 × 10−6 | R(1)–R(4) | 8 | 2.9 × 10−6 |
~5.0 × 10−6 |
H1 3 CN | 2 11 0 – 0 11 0 | present | 0.0005 | P(12)–P(20) | 18 | 0.00048 |
| 2 11 0 – 0 11 0 | present, 1 | 0.0033 | P(20)–R(30) | 126 | 0.0038 |
| 0 11 0 – 0 11 0 | 25 | 3.0 × 10−7 | Q(6)–Q(15) | 10 | 2.4 × 10−7 |
| 0 11 0 – 0 11 0 | 27 | 5.0 × 10−8 | R(2)–R(5) | 8 | 9.4 × 10−7 |
rms: root mean square deviation for the least–squares fit
Data from Ref.
13 were calibrated, as mentioned in text.
Table III
Molecular Constants and Correlation Matrices of the (2 00 0)–(0 00 0) Band of H12C14N And H13C14N (In cm−1)
| H1 2 C1 4N | H1 3 C1 4N |
---|
|
---|
χ2 (d.f.) | 96.7 (131) | 162.4 (113) |
---|
ΔT | 6519.61043(14) | 6483.28267(18) |
B′ | 1.45707522(14) | 1.42045300(46) |
D′ | 2.86217(246) × 10−6 | 2.70387(260) × 10−6 |
B″ | 1.478221832(16) | 1.44000020(22) |
D″ | 2.90969(216) × 10−6 | 2.75250(256) × 10−6 |
|
ΔT | 100 | | | | | 100 | | | | |
B′ | −8 | 100 | | | | −37 | 100 | | | |
D′ | 19 | 34 | 100 | | | −12 | 5 | 100 | | |
B″ | 11 | 20 | 67 | 100 | | 7 | 2 | 41 | 100 | |
D″ | 15 | 30 | 99 | 68 | 100 | −14 | −10 | 97 | 47 | 100 |
| ΔT | B′ | D′ | B″ | D″ | ΔT | B′ | D′ | B″ | D″ |
d.f.: degree of freedom
The numbers in parentheses are standard errors in units of the last digit of the quoted parameters.
Table IV
Molecular Constants and Correlation Matrices of the (2 11 0)–(0 11 0) Band of H12C14N and H13C14N (In cm−1)
| H1 2 C1 4N | H1 3 C1 4N |
---|
|
---|
χ 2(d.f.) | 293.8 (255) | 192.0 (152) |
---|
ΔT | 6480.78514(18) | 6445.69509(40) |
B′ | 1.4610460(12) | 1.4239840(26) |
D′ | 2.91617(293) × 10−6 | 2.78560(597) × 10−6 |
q0′ | 7.6928(15) × 10−3 | 7.3802(17) × 10−3 |
qj′ | −9.773(235) × 10−8 | −8.889(383) × 10−8 |
B″ | 1.48177870(13) | 1.44316314(49) |
D″ | 2.96680(254) × 10−6 | 2.83376(815) × 10−6 |
q0″ | 7.4877317(90) × 10−3 | 7.1662164(60) × 10−3 |
qj″ | −8.86730(683) × 10−8 | −8.12376(772) × 10−8 |
qj j″ | 1.1790(1199) × 10−1 2 | 1.4050(2315) × 10−1 2 |
|
| | | | ΔT | B′ | D′ | q0′ | qj′ | B″ | D″ | q0″ | qj″ | qj j″ | |
ΔT | 100 | | | 100 | −91 | −3 | 0 | 0 | 31 | 34 | 0 | 0 | 0 | ΔT |
B′ | −77 | 100 | | | 100 | −9 | 0 | 0 | −45 | −53 | 0 | 0 | 0 | B′ |
D′ | −18 | 34 | 100 | | | 100 | 0 | 0 | 80 | 87 | 0 | 0 | 0 | D′ |
q0′ | −1 | 2 | 7 | 100 | | | 100 | −87 | 0 | 0 | −1 | 1 | −2 | q0′ |
qj′ | 1 | −3 | −8 | −96 | 100 | | | 100 | 0 | 0 | 3 | −3 | 3 | qj′ |
B″ | 5 | 3 | 36 | 2 | −2 | 100 | | | 100 | 91 | 0 | 0 | 0 | B″ |
D″ | 14 | −15 | 86 | 5 | −6 | 42 | 100 | | | 100 | 0 | 0 | 0 | D″ |
q0″ | 0 | 0 | 0 | −1 | 2 | 0 | 0 | 100 | | | 100 | −96 | 91 | q0″ |
qj″ | 0 | 0 | 0 | 1 | −3 | 0 | 0 | −95 | 100 | | | 100 | −98 | qj″ |
qj j″ | 0 | 0 | 0 | −1 | 3 | 0 | 0 | 88 | −98 | 100 | | | 100 | qj j″ |
| ΔT | B′ | D′ | q0′ | qj′ | B″ | D″ | q0″ | qj″ | qj j″ | | | | |
d.f.: degree of freedom
The numbers in parentheses are standard errors in units of the last digit of the quoted parameters.
Table V
Fit of the Rotational Transitions for the (0 11 0) and (2 11 0) States of H12C14N and H13C14N (In cm−1)
| (0 11 0) | (2 11 0) |
---|
| obs. | obs.–cal. | obs. | obs.–cal. |
---|
H1 2 C1 4N | | | | |
R(1) e | 5.9120477(10) | 0.0000019 | | |
f | 5.9419940(10) | 0.0000001 | | |
R(2) e | 8.8678909(20) | −0.0000025 | 8.7431498(50) | 0.0002615 |
f | 8.9128116(20) | 0.0000014 | 8.7888746(50) | −0.0001598 |
R(3) e | 11.8235239(30) | −0.0000066 | 11.6572187(50) | 0.0003555 |
f | 11.8834114(30) | 0.0000017 | 11.7181614(50) | −0.0002190 |
R(4) e | 14.7788860(50) | −0.0000011 | | |
f | 14.8537167(50) | −0.0000034 | | |
|
H1 3 C1 4N | | | | |
R(2) e | 8.6371785(50) | −0.0000000 | 8.5217938(50) | 0.0003263 |
f | 8.6801658(50) | −0.0000012 | 8.5652953(50) | −0.0004436 |
R(3) e | 11.5159243(50) | −0.0000009 | 11.3620395(50) | 0.0003898 |
f | 11.5732328(50) | −0.0000014 | 11.4201066(50) | −0.0005617 |
R(4) e | 14.3944031(50) | −0.0000007 | | |
f | 14.4660249(50) | −0.0000004 | | |
R(5) e | 17.2725485(50) | 0.0000014 | | |
f | 17.3584721(50) | 0.0000005 | | |
Sources of the microwave data are Refs.
26 and
27.
Numbers in parentheses are experimental accuracy in units of the last digit of the quoted wavenumber.
Table VI
Calculated Wavenumbers for the (2 00 0)–(0 00 0) Band of H12C14N and H13C14N (In cm−1)
| H1 2 C1 4N | H1 3 C1 4N |
---|
J | P–branch | R–branch | P–branch | R–branch |
---|
0 | | 6522.5246(5) | | 6486.1236(5) |
1 | 6516.6540(5) | 6525.3964(5) | 6480.4027(5) | 6488.9253(5) |
2 | 6513.6553(5) | 6528.2257(5) | 6477.4837(5) | 6491.6878(5) |
3 | 6510.6145(5) | 6531.0126(5) | 6474.5257(5) | 6494.4110(5) |
4 | 6507.5317(5) | 6533.7568(5) | 6471.5288(5) | 6497.0949(5) |
5 | 6504.4068(5) | 6536.4585(5) | 6468.4931(5) | 6499.7394(5) |
6 | 6501.2399(5) | 6539.1175(5) | 6465.4187(5) | 6502.3444(5) |
7 | 6498.0312(5) | 6541.7337(5) | 6462.3055(5) | 6504.9099(5) |
8 | 6494.7808(5) | 6544.3071(5) | 6459.1538(5) | 6507.4358(5) |
9 | 6491.4886(5) | 6546.8377(5) | 6455.9635(5) | 6509.9221(5) |
10 | 6488.1548(5) | 6549.3253(5) | 6452.7348(5) | 6512.3686(5) |
11 | 6484.7795(5) | 6551.7699(5) | 6449.4677(5) | 6514.7755(5) |
12 | 6481.3627(5) | 6554.1715(5) | 6446.1623(5) | 6517.1425(5) |
13 | 6477.9045(5) | 6556.5300(5) | 6442.8187(5) | 6519.4697(5) |
14 | 6474.4050(5) | 6558.8454(5) | 6439.4369(5) | 6521.7570(5) |
15 | 6470.8644(5) | 6561.1175(5) | 6436.0171(5) | 6524.0043(5) |
16 | 6467.2826(5) | 6563.3464(5) | 6432.5592(5) | 6526.2117(5) |
17 | 6463.6597(5) | 6565.5320(5) | 6429.0635(5) | 6528.3790(5) |
18 | 6459.9959(5) | 6567.6742(5) | 6425.5300(5) | 6530.5062(5) |
19 | 6456.2913(5) | 6569.7730(5) | 6421.9587(5) | 6532.5934(5) |
20 | 6452.5458(5) | 6571.8284(5) | 6418.3498(5) | 6534.6403(5) |
21 | 6448.7597(5) | 6573.8402(5) | 6414.7034(5) | 6536.6470(5) |
22 | 6444.9330(5) | 6575.8086(5) | 6411.0195(5) | 6538.6135(5) |
23 | 6441.0658(5) | 6577.7333(5) | 6407.2982(5) | 6540.5397(5) |
24 | 6437.1582(5) | 6579.6144(5) | 6403.5396(5) | 6542.4255(5) |
25 | 6433.2103(5) | 6581.4519(5) | 6399.7439(5) | 6544.2710(5) |
26 | 6429.2222(5) | 6583.2456(5) | 6395.9110(5) | 6546.0761(5) |
27 | 6425.1940(5) | 6584.9956(6) | 6392.0412(5) | 6547.8407(6) |
28 | 6421.1258(5) | 6586.7019(6) | 6388.1345(5) | 6549.5649(6) |
29 | 6417.0177(5) | 6588.3642(6) | 6384.1909(5) | 6551.2486(6) |
30 | 6412.8698(5) | 6589.9828(7) | 6380.2107(5) | 6552.8917(7) |
31 | 6408.6822(5) | 6591.5574(7) | 6376.1938(5) | 6554.4943(7) |
32 | 6404.4549(5) | 6593.0881(8) | 6372.1405(6) | 6556.0563(8) |
33 | 6400.1882(5) | 6594.5749(8) | 6368.0507(6) | 6557.5776(8) |
34 | 6395.8821(5) | 6596.0177(9) | 6363.9247(6) | 6559.0584(9) |
35 | 6391.5367(5) | 6597.4164(10) | 6359.7624(7) | 6560.4984(10) |
36 | 6387.1522(5) | 6598.7711(11) | 6355.5641(8) | 6561.8978(11) |
37 | 6382.7286(5) | 6600.0817(12) | 6351.3298(8) | 6563.2564(12) |
38 | 6378.2660(6) | 6601.3483(13) | 6347.0596(9) | 6564.5743(13) |
39 | 6373.7646(6) | 6602.5706(14) | 6342.7536(10) | 6565.8514(14) |
40 | 6369.2245(6) | 6603.7489(15) | 6338.4120(11) | 6567.0878(15) |
The numbers in parentheses are absolute accuracies in units of the last digit of the quoted wavenumbers.
Table VII
Calculated Wavenumbers for the (2 11 0)–(0 11 0) Band of H12C14N and H13C14N (In cm−1)
| | H1 2 C1 4N | |
---|
J | P–branch | Q–branch | R–branch |
---|
1 e | | 6480.7589(5) | 6486.5722(5) |
f | | 6480.7285(5) | 6486.6034(5) |
2 e | 6474.8314(5) | 6480.7063(5) | 6489.4030(5) |
f | 6474.8019(5) | 6480.6152(5) | 6489.4504(5) |
3 e | 6471.7922(5) | 6480.6274(5) | 6492.1920(5) |
f | 6471.7486(5) | 6480.4453(5) | 6492.2560(5) |
4 e | 6468.7116(5) | 6480.5223(5) | 6494.9390(5) |
f | 6468.6542(5) | 6480.2187(5) | 6495.0200(5) |
5 e | 6465.5896(5) | 6480.3908(5) | 6497.6441(5) |
f | 6465.5188(5) | 6479.9356(5) | 6497.7424(5) |
6 e | 6462.4262(5) | 6480.2331(5) | 6500.3070(5) |
f | 6462.3426(5) | 6479.5958(5) | 6500.4232(5) |
7 e | 6459.2217(5) | 6480.0490(5) | 6502.9279(5) |
f | 6459.1256(5) | 6479.1995(5) | 6503.0622(5) |
8 e | 6455.9760(5) | 6479.8387(5) | 6505.5065(5) |
f | 6455.8678(5) | 6478.7466(5) | 6505.6594(5) |
9 e | 6452.6892(5) | 6479.6020(5) | 6508.0429(5) |
f | 6452.5694(5) | 6478.2372(5) | 6508.2148(5) |
10 e | 6449.3614(5) | 6479.3390(5) | 6510.5371(5) |
f | 6449.2304(5) | 6477.6714(5) | 6510.7282(5) |
11 e | 6445.9927(5) | 6479.0496(5) | 6512.9888(5) |
f | 6445.8509(5) | 6477.0490(5) | 6513.1997(5) |
12 e | 6442.5832(5) | 6478.7339(5) | 6515.3982(5) |
f | 6442.4310(5) | 6476.3703(5) | 6515.6291(5) |
13 e | 6439.1330(5) | 6478.3918(5) | 6517.7651(5) |
f | 6438.9708(5) | 6475.6351(5) | 6518.0164(5) |
14 e | 6435.6421(5) | 6478.0234(5) | 6520.0895(5) |
f | 6435.4704(5) | 6474.8437(5) | 6520.3616(5) |
15 e | 6432.1106(5) | 6477.6285(5) | 6522.3713(5) |
f | 6431.9298(5) | 6473.9959(5) | 6522.6645(5) |
16 e | 6428.5387(5) | 6477.2073(5) | 6524.6105(5) |
f | 6428.3492(5) | 6473.0919(5) | 6524.9252(5) |
17 e | 6424.9263(5) | 6476.7596(5) | 6526.8071(5) |
f | 6424.7285(5) | 6472.1318(5) | 6527.1436(5) |
18 e | 6421.2737(5) | 6476.2855(5) | 6528.9609(5) |
f | 6421.0680(5) | 6471.1155(5) | 6529.3196(5) |
19 e | 6417.5809(5) | 6475.7849(5) | 6531.0720(5) |
f | 6417.3678(5) | 6470.0432(5) | 6531.4531(5) |
20 e | 6413.8479(5) | 6475.2579(5) | 6533.1403(5) |
f | 6413.6278(5) | 6468.9148(5) | 6533.5442(5) |
21 e | 6410.0750(5) | 6474.7043(5) | 6535.1658(5) |
f | 6409.8482(5) | 6467.7306(5) | 6535.5928(5) |
22 e | 6406.2621(5) | 6474.1243(5) | 6537.1484(5) |
f | 6406.0290(5) | 6466.4905(5) | 6537.5988(5) |
23 e | 6402.4094(5) | 6473.5177(5) | 6539.0881(5) |
f | 6402.1705(5) | 6465.1946(5) | 6539.5621(5) |
24 e | 6398.5170(5) | 6472.8845(5) | 6540.9848(5) |
f | 6398.2726(5) | 6463.8430(5) | 6541.4828(5) |
25 e | 6394.5850(5) | 6472.2248(5) | 6542.8385(6) |
f | 6394.3356(5) | 6462.4359(5) | 6543.3608(6) |
26 e | 6390.6134(5) | 6471.5384(5) | 6544.6493(6) |
f | 6390.3593(5) | 6460.9731(5) | 6545.1960(6) |
27 e | 6386.6025(5) | 6470.8254(5) | 6546.4169(7) |
f | 6386.3441(5) | 6459.4550(5) | 6546.9885(7) |
28 e | 6382.5522(5) | 6470.0858(5) | 6548.1415(7) |
f | 6382.2899(5) | 6457.8815(5) | 6548.7381(8) |
29 e | 6378.4628(6) | 6469.3194(5) | 6549.8230(8) |
f | 6378.1969(6) | 6456.2527(5) | 6550.4447(9) |
30 e | 6374.3343(6) | 6468.5264(5) | 6551.4613(9) |
f | 6374.0652(6) | 6454.5688(5) | 6552.1085(10) |
|
| | H1 3 C1 4N | |
J | P–branch | Q–branch | R–branch |
|
1 e | | 6445.6713(6) | 6451.3376(6) |
f | | 6445.6422(6) | 6451.3676(6) |
2 e | 6439.8983(6) | 6445.6237(6) | 6454.1008(6) |
f | 6439.8701(6) | 6445.5364(6) | 6454.1464(6) |
3 e | 6436.9422(6) | 6445.5522(6) | 6456.8253(6) |
f | 6436.9005(6) | 6445.3777(6) | 6456.8869(6) |
4 e | 6433.9477(6) | 6445.4570(6) | 6459.5110(6) |
f | 6433.8930(6) | 6445.1661(6) | 6459.5890(5) |
5 e | 6430.9150(6) | 6445.3379(5) | 6462.1577(5) |
f | 6430.8476(6) | 6444.9016(5) | 6462.2526(5) |
6 e | 6427.8440(6) | 6445.1950(5) | 6464.7655(5) |
f | 6427.7645(6) | 6444.5843(5) | 6464.8777(5) |
7 e | 6424.7349(5) | 6445.0282(5) | 6467.3343(5) |
f | 6424.6436(5) | 6444.2142(5) | 6467.4642(5) |
8 e | 6421.5877(5) | 6444.8377(5) | 6469.8641(5) |
f | 6421.4851(5) | 6443.7912(5) | 6470.0120(5) |
9 e | 6418.4025(5) | 6444.6233(5) | 6472.3547(5) |
f | 6418.2891(5) | 6443.3155(5) | 6472.5211(5) |
10 e | 6415.1793(5) | 6444.3850(5) | 6474.8061(5) |
f | 6415.0555(5) | 6442.7869(5) | 6474.9915(5) |
11 e | 6411.9184(5) | 6444.1229(5) | 6477.2183(5) |
f | 6411.7846(5) | 6442.2057(5) | 6477.4230(5) |
12 e | 6408.6196(5) | 6443.8369(5) | 6479.5913(5) |
f | 6408.4763(5) | 6441.5718(5) | 6479.8156(5) |
13 e | 6405.2832(5) | 6443.5270(5) | 6481.9249(5) |
f | 6405.1308(5) | 6440.8852(5) | 6482.1692(5) |
14 e | 6401.9092(5) | 6443.1932(5) | 6484.2191(5) |
f | 6401.7481(5) | 6440.1460(5) | 6484.4839(5) |
15 e | 6398.4976(5) | 6442.8355(5) | 6486.4739(5) |
f | 6398.3283(5) | 6439.3542(5) | 6486.7595(5) |
16 e | 6395.0486(5) | 6442.4540(5) | 6488.6893(6) |
f | 6394.8715(5) | 6438.5099(5) | 6488.9960(6) |
17 e | 6391.5623(5) | 6442.0484(5) | 6490.8651(6) |
f | 6391.3778(5) | 6437.6131(5) | 6491.1934(6) |
18 e | 6388.0387(5) | 6441.6190(5) | 6493.0013(6) |
f | 6387.8473(5) | 6436.6639(5) | 6493.3515(6) |
19 e | 6384.4780(5) | 6441.1655(5) | 6495.0980(6) |
f | 6384.2801(5) | 6435.6624(5) | 6495.4704(6) |
20 e | 6380.8801(5) | 6440.6881(5) | 6497.1549(6) |
f | 6380.6762(5) | 6434.6086(5) | 6497.5500(6) |
21 e | 6377.2453(5) | 6440.1867(5) | 6499.1723(7) |
f | 6377.0357(5) | 6433.5025(5) | 6499.5903(7) |
22 e | 6373.5735(6) | 6439.6613(6) | 6501.1498(7) |
f | 6373.3587(6) | 6432.3442(6) | 6501.5911(7) |
23 e | 6369.8650(6) | 6439.1119(6) | 6503.0877(7) |
f | 6369.6454(6) | 6431.1339(6) | 6503.5525(7) |
24 e | 6366.1198(7) | 6438.5384(7) | 6504.9857(8) |
f | 6365.8957(7) | 6429.8715(7) | 6505.4744(8) |
25 e | 6362.3379(9) | 6437.9408(8) | 6506.8438(9) |
f | 6362.1099(9) | 6428.5572(8) | 6507.3568(9) |
26 e | 6358.5195(10) | 6437.3192(9) | 6508.6622(10) |
f | 6358.2880(10) | 6427.1910(9) | 6509.1996(10) |
27 e | 6354.6648(12) | 6436.6734(10) | 6510.4406(11) |
f | 6354.4300(12) | 6425.7730(10) | 6511.0028(11) |
28 e | 6350.7737(14) | 6436.0035(13) | 6512.1791(13) |
f | 6350.5361(14) | 6424.3033(13) | 6512.7664(13) |
29 e | 6346.8464(17) | 6435.3095(15) | 6513.8776(15) |
f | 6346.6064(17) | 6422.7819(15) | 6514.4902(15) |
30 e | 6342.8830(21) | 6434.5912(18) | 6515.5361(18) |
f | 6342.6410(21) | 6421.2091(18) | 6516.1743(18) |
The numbers in parentheses are absolute accuracies in units of the last digit of the quoted wavenumbers.
Table VIII
Molecular Constants of the (2 00 0)–(0 00 0) Band of H12C15N and H13C15N (In cm−1)
| H1 2 C1 5N | H1 3 C1 5N |
---|
|
---|
χ2 (d.f.) | 37.9 (51) | 58.0 (47) |
---|
ΔT | 6516.51112(60) | 6480.58641(60) |
B′ | 1.41494255(59) | 1.37770492(74) |
D′ | 2.6967(115) × 10−6 | 2.5770(107) × 10−6 |
B″ | 1.43524782(29) | 1.39643101(30) |
D″ | 2.7408(101) × 10−6 | 2.6215(100) × 10−6 |
d.f.: degree of freedom
The numbers in parentheses are standard errors in units of the last digit of the quoted parameters.
Table IX
Molecular Constants of the (2 20 0)–(0 20 0) and (2 22 0)–(0 22 0) Bands of H12C14N (In cm−1)
χ2 (d.f.) 129.7 (120) |
---|
T∑′–T∑″ | 6442.09996(88) | TΔ′–TΔ″ | 6441.53840(75) |
B∑′ | 1.4655043(69) | BΔ′ | 1.4647501(51) |
D∑′ | 2.9800(119) × 10−6 | DΔ′ | 3.0401(115) × 10−6 |
| | q0′ | 7.738(16) × 10−3 |
| | TΔ″–T∑″ | 15.142(61) |
B∑″ | 1.48582847(24) | BΔ″ | 1.48502185(42) |
D∑″ | 3.06391(969) × 10−6 | DΔ″ | 3.0343(115) × 10−6 |
| | q0″ | 7.592(15) × 10−3 |
| | qj″ | −9.3184(190) × 10−8 |
d.f.: degree of freedom
The numbers in parentheses are standard errors in units of the last digit of the quoted parameters.