Sumner P. Davis, Mark C. Abrams, John G. Phillips, and M. L. P. Rao, "Infrared bands of the C2 Phillips system," J. Opt. Soc. Am. B 5, 2280-2285 (1988)
The spectrum of the C2 Phillips System (A1Πu → X1∑g+) was observed in the spectral region 3300–6500 cm−1 by using a high-resolution Fourier-transform spectrometer and a hollow-cathode discharge source. Three new bands were observed, the (2–3), (1–3), and (2–4) bands belonging to the Δυ = −1 and Δυ = −2 sequences. In addition, new lines were observed in the (0–2) band. These lines, combined with previous high-resolution data, are used in a linear least-squares algorithm to calculate Dunham coefficients with a standard deviation of 0.018 cm−1. These coefficients facilitate the accurate prediction of wave numbers for the vibrational levels with υ″ and υ″.between 0 and 4.
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Observed Bands and Lines of the C2 Phillips System
J
Branch Wave Numbers (cm−1)
P
Q
R
0–2 Band
2
4640.7106
4650.4263
4
4638.3831
4654.4553
6
4615.4342
4634.6614
4657.2244
8
4604.0189
4629.7489
4658.6585
10
4591.2840
4623.4406
4658.7594
12
4577.2297
4615.8074
4657.5280
14
4561.8545
4606.8483
4654.9597
16
4545.1635
4596.5673
4651.0585
18
4527.1616
4584.9637
4645.8238
20
4507.8451
4572.0416
4639.2558
22
4487.2279
4557.8027
4631.3566
24
4465.3073
4542.2490
4622.1247
26
4442.0870
4525.3827
4611.5686
28
4417.5743
4507.2090
4599.6814
30
4391.7724
4487.7267
4586.4675
32
4364.6819
4466.9474
4572.0416
34
4336.3176
4444.8628
36
4306.6762
4421.4854
38
4275.7568
4396.8149
40
42
4343.6288
46
4285.2813
48
4254.2634
1–3 Band
2
4454.7584
4464.3046
4
4452.4595
4468.3601
6
4429.7534
4448.8503
4471.1064
8
4418.4707
4443.9270
4472.5324
10
4405.8742
4437.6909
4472.6368
12
4391.9818
4430.1454
4471.4239
14
4376.7734
4421.2917
4468.8943
16
4360.2747
4411.1311
4465.0453
18
4342.4762
4399.6650
4459.8778
20
4323.3827
4386.9493
4453.3947
22
4303.0037
4372.8279
4445.5962
24
4281.3365
4357.4597
4436.4872
26
4258.3931
4340.7998
4426.0652
28
4234.1688
4322.8481
4414.3328
30
4208.6759
4303.6148
4401.2908
32
4181.9156
4283.0889
4386.8961
34
4153.8909
4261.2943
4371.2973
36
4124.6118
4238.2890
4354.3563
38
4213.9464
40
4188.2839
2–4 Band
2
4274.9383
4284.3791
4
4272.6771
4288.2628
6
4250.2227
4269.1190
4291.1336
8
4239.0830
4264.2636
4292.5625
10
4226.6482
4258.1215
4292.6903
12
4212.9272
4250.6893
4291.5077
14
4197.9228
4241.9598
4289.0473
16
4181.6388
4231.9493
4285.2813
18
4164.0849
4220.6520
4280.1926
20
4145.2310
4208.0736
4273.8329
22
4125.1258
4194.2102
4266.1968
24
4103.7824
4179.0366
4257.2455
26
4081.1570
4162.6672
4247.0073
28
4057.2755
4144.9909
4235.4807
30
4125.9943
32
4105.8447
4208.5815
34
4084.3888
4193.2084
36
4061.6850
38
4037.7450
40
4012.5349
2–3 Band
2
4
6011.9500
6027.4601
6
5989.0876
6007.9582
6029.9885
8
5977.2648
6002.5250
6030.8316
10
5964.1640
5995.6400
6030.2069
12
5987.3145
6028.1427
14
5933.4919
5977.5254
6024.6139
16
5966.3020
6019.6401
18
5897.0714
5953.6388
6013.3252
20
5876.6833
5939.5306
6005.2818
22
5854.9052
5923.9850
5995.9684
24
5906.9994
5985.0786
26
5888.5927
5972.8355
28
5868.7546
5959.2340
30
5847.4896
Table 2
Molecular Parameters for the C2 Phillips Systema,b
Term
A1Πu
X1∑g+
Ylm
Te
8391.2215(54)
0.0
Y00
ωe
1608.3065(31)
1854.5881(83)
Y10
ωexe
12.1279(66)
13.2730(38)
−Y20
ωeye
0.0
−0.18242(51)
Y30
Be
1.616543(24)
1.819927(24)
Y01
αe
0.0169187(28)
0.01775231(56)
−Y11
γe × 104
−0.5011(52)
−2.022(13)
Y21 × 104
De × 106
6.4875(42)
6.9393(44)
−Y02×106
βe × 108
2.526(40)
6.116(87)
−Y12 × 108
Lambda-type doubling parametersa
qB × 104
−2.0771(27)
Y01q × 104
qα × 106
5.56(73)
Y11q × 106
qD × 109
5.87(53)
Y02q × 109
All values are given in reciprocal centimeters, and the error quoted is one standard deviation in the last decimal place. The variance is 0.018 cm−1 for reproducing individual spectral lines.
In most molecules, excepting the lightest hydrides, the identification of the Dunham coefficients with the physical parameters Te, ωe, ωexe, … is exact, with certain sign conventions, as shown in the last column.
The table lists term values E(υ,J) given by E(1Π, υ, J) = Te + ωe(υ + 1/2) −ωexe(υ + 1/2)2 + [Be − αe(υ + 1/2)]J(J + 1), where E(υ, J) is comparable with the term values given by Chauville et al.3 All values are given in reciprocal centimeters.
Table 5
Molecular Parameters for the c3∑u+ State
Parameter
Value (cm −1)
Te
9124.212
ωe
2085.899
ωexe
18.623
Be
1.921
αe × 102
1.255
De × 106
6.517
Tables (5)
Table 1
Observed Bands and Lines of the C2 Phillips System
J
Branch Wave Numbers (cm−1)
P
Q
R
0–2 Band
2
4640.7106
4650.4263
4
4638.3831
4654.4553
6
4615.4342
4634.6614
4657.2244
8
4604.0189
4629.7489
4658.6585
10
4591.2840
4623.4406
4658.7594
12
4577.2297
4615.8074
4657.5280
14
4561.8545
4606.8483
4654.9597
16
4545.1635
4596.5673
4651.0585
18
4527.1616
4584.9637
4645.8238
20
4507.8451
4572.0416
4639.2558
22
4487.2279
4557.8027
4631.3566
24
4465.3073
4542.2490
4622.1247
26
4442.0870
4525.3827
4611.5686
28
4417.5743
4507.2090
4599.6814
30
4391.7724
4487.7267
4586.4675
32
4364.6819
4466.9474
4572.0416
34
4336.3176
4444.8628
36
4306.6762
4421.4854
38
4275.7568
4396.8149
40
42
4343.6288
46
4285.2813
48
4254.2634
1–3 Band
2
4454.7584
4464.3046
4
4452.4595
4468.3601
6
4429.7534
4448.8503
4471.1064
8
4418.4707
4443.9270
4472.5324
10
4405.8742
4437.6909
4472.6368
12
4391.9818
4430.1454
4471.4239
14
4376.7734
4421.2917
4468.8943
16
4360.2747
4411.1311
4465.0453
18
4342.4762
4399.6650
4459.8778
20
4323.3827
4386.9493
4453.3947
22
4303.0037
4372.8279
4445.5962
24
4281.3365
4357.4597
4436.4872
26
4258.3931
4340.7998
4426.0652
28
4234.1688
4322.8481
4414.3328
30
4208.6759
4303.6148
4401.2908
32
4181.9156
4283.0889
4386.8961
34
4153.8909
4261.2943
4371.2973
36
4124.6118
4238.2890
4354.3563
38
4213.9464
40
4188.2839
2–4 Band
2
4274.9383
4284.3791
4
4272.6771
4288.2628
6
4250.2227
4269.1190
4291.1336
8
4239.0830
4264.2636
4292.5625
10
4226.6482
4258.1215
4292.6903
12
4212.9272
4250.6893
4291.5077
14
4197.9228
4241.9598
4289.0473
16
4181.6388
4231.9493
4285.2813
18
4164.0849
4220.6520
4280.1926
20
4145.2310
4208.0736
4273.8329
22
4125.1258
4194.2102
4266.1968
24
4103.7824
4179.0366
4257.2455
26
4081.1570
4162.6672
4247.0073
28
4057.2755
4144.9909
4235.4807
30
4125.9943
32
4105.8447
4208.5815
34
4084.3888
4193.2084
36
4061.6850
38
4037.7450
40
4012.5349
2–3 Band
2
4
6011.9500
6027.4601
6
5989.0876
6007.9582
6029.9885
8
5977.2648
6002.5250
6030.8316
10
5964.1640
5995.6400
6030.2069
12
5987.3145
6028.1427
14
5933.4919
5977.5254
6024.6139
16
5966.3020
6019.6401
18
5897.0714
5953.6388
6013.3252
20
5876.6833
5939.5306
6005.2818
22
5854.9052
5923.9850
5995.9684
24
5906.9994
5985.0786
26
5888.5927
5972.8355
28
5868.7546
5959.2340
30
5847.4896
Table 2
Molecular Parameters for the C2 Phillips Systema,b
Term
A1Πu
X1∑g+
Ylm
Te
8391.2215(54)
0.0
Y00
ωe
1608.3065(31)
1854.5881(83)
Y10
ωexe
12.1279(66)
13.2730(38)
−Y20
ωeye
0.0
−0.18242(51)
Y30
Be
1.616543(24)
1.819927(24)
Y01
αe
0.0169187(28)
0.01775231(56)
−Y11
γe × 104
−0.5011(52)
−2.022(13)
Y21 × 104
De × 106
6.4875(42)
6.9393(44)
−Y02×106
βe × 108
2.526(40)
6.116(87)
−Y12 × 108
Lambda-type doubling parametersa
qB × 104
−2.0771(27)
Y01q × 104
qα × 106
5.56(73)
Y11q × 106
qD × 109
5.87(53)
Y02q × 109
All values are given in reciprocal centimeters, and the error quoted is one standard deviation in the last decimal place. The variance is 0.018 cm−1 for reproducing individual spectral lines.
In most molecules, excepting the lightest hydrides, the identification of the Dunham coefficients with the physical parameters Te, ωe, ωexe, … is exact, with certain sign conventions, as shown in the last column.
The table lists term values E(υ,J) given by E(1Π, υ, J) = Te + ωe(υ + 1/2) −ωexe(υ + 1/2)2 + [Be − αe(υ + 1/2)]J(J + 1), where E(υ, J) is comparable with the term values given by Chauville et al.3 All values are given in reciprocal centimeters.