Measurements on Higher J Rotational Lines of Vibration Rotation Bands and Study of Resonances in Linear Polyatomic Molecules. I. ν2 and 2ν20 Bands of HC12N†

W. W. Brim; J. M. Hoffman; H. H. Nielsen; K. Narahari Rao

doi:10.1364/JOSA.50.001208

Journal of the Optical Society of America
Vol. 50,
Issue 12,
pp. 1208-1213
(1960)
•https://doi.org/10.1364/JOSA.50.001208

Measurements on Higher J Rotational Lines of Vibration Rotation Bands and Study of Resonances in Linear Polyatomic Molecules. I. ν₂ and 2ν₂⁰ Bands of HC¹²N

W. W. Brim, J. M. Hoffman, H. H. Nielsen, and K. Narahari Rao

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W. W. Brim, J. M. Hoffman, H. H. Nielsen, and K. Narahari Rao, "Measurements on Higher J Rotational Lines of Vibration Rotation Bands and Study of Resonances in Linear Polyatomic Molecules. I. ν₂ and 2ν₂⁰ Bands of HC¹²N†," J. Opt. Soc. Am. 50, 1208-1213 (1960)

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Abstract

The ν₂ and the 2ν₂⁰ bands of the HC¹²N molecule have been measured with a vacuum grating spectrometer and the molecular constants evaluated. Observations on the ν₂ band have been carried out to J=40 and the data did not reveal any necessity for introducing an H term in the expression for the rotational term value. The anomalous centrifugal distortion constant observed for the 2ν₂⁰ band has been discussed in the light of current theories. The difference bands 3ν₂¹−ν₂¹⁽^c⁾ and 3ν₂¹−ν₂¹⁽^d⁾ have been identified in the region of absorption of the 2ν₂⁰ band.

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	Present measurements (Obs.)		Calculated positions using constants of Rank et al.^a		Obs.-Calc. (Rank et al.)		Calculated positions using constants from the present work^b		Obs.-Calc. (present work)
J	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)
0
1	717.896		717.894		+0.002		717.894		+0.002
2	20.846	706.079	20.849	706.070	−0.003	+0.009	20.850	706.069	−0.004	+0.010
3	23.801	03.118	23.804	03.112	−0.003	+0.006	23.803	03.112	−0.002	+0.006
4	26.757	700.155	26.758	700.155	−0.001	0.000	26.759	700.155	−0.002	0.000
5	29.718	697.186	29.712	697.199	+0.006	−0.013	29.710	697.198	+0.008	−0.012
6	32.663	94.238	32.665	94.242	−0.002	−0.004	32.664	94.241	−0.001	−0.003
7	35.612	91.286	35.617	91.285	−0.005	+0.001	35.616	91.284	−0.004	+0.002
8	38.567	88.343	38.568	88.329	−0.001	+0.014	38.566	88.327	+0.001	+0.016
9	41.506	85.362	41.518	85.372	−0.012	−0.010	41.515	85.371	−0.009	−0.009
10	44.453	82.403	44.467	82.416	−0.014	−0.013	44.465	82.415	−0.012	−0.012
11	47.398	79.450	47.415	79.460	−0.017	−0.010	47.412	79.459	−0.014	−0.009
12	50.371	76.488	50.362	76.505	+0.009	−0.017	50.359	76.503	+0.012	−0.015
13	53.309	73.542	53.307	73.550	+0.002	−0.008	53.303	73.548	+0.006	−0.006
14	56.262	70.596	56.250	70.595	+0.012	+0.001	56.247	70.594	+0.015	+0.002
15	59.194	67.644	59.192	67.641	+0.002	+0.003	59.188	67.639	+0.006	+0.005
16	62.138	64.683	62.132	64.687	+0.006	−0.004	62.129	64.686	+0.009	−0.003
17	65.059	61.730	65.070	61.734	−0.011	−0.004	65.068	61.734	−0.009	−0.004
18	67.995	58.773	68.006	58.782	−0.011	−0.009	68.004	58.782	−0.009	−0.009
19	70.942	55.823	70.940	55.830	+0.002	−0.007	70.939	55.831	+0.003	−0.008
20	73.866	52.883	73.871	52.878	−0.005	+0.005	73.872	52.880	−0.006	+0.003
21	76.791	49.911	76.800	49.927	−0.009	−0.016	76.802	49.931	−0.011	−0.020
22	79.718	46.973	79.727	46.977	−0.009	−0.004	79.731	46.982	−0.013	−0.009
23	82.650	44.030	82.651	44.027	−0.001	+0.003	82.657	44.035	−0.007	−0.005
24	85.568	41.067	85.572	41.078	−0.004	−0.011	85.581	41.089	−0.013	−0.022
25	88.502	38.130	88.491	38.129	+0.011	+0.001	88.503	38.144	−0.001	−0.014
26	91.409	35.189	91.406	35.181	+0.003	+0.008	91.421	35.198	−0.012	−0.009
27	94.295	32.238	94.317	32.234	−0.022	+0.004	94.337	32.256	−0.042	−0.018
28	797.230	29.293	797.226	29.287	+0.004	+0.006	797.250	29.314	−0.020	−0.021
29	800.152	26.342	800.131	26.341	+0.021	+0.001	800.160	26.373	−0.008	−0.031
30	03.072	23.431	03.032	23.395	+0.040	+0.036	03.068	23.434	+0.004	−0.003
31	05.967	20.486	05.930	20.450	+0.037	+0.036	05.972	20.496	−0.005	−0.010
32	08.870	17.548	08.823	17.506	+0.047	+0.042	08.873	17.560	−0.003	−0.002
33	11.786	14.612	11.712	14.562	+0.074	+0.050	11.770	14.623	+0.016	−0.010
34	14.672	11.670	14.597	11.618	+0.075	+0.052	14.664	11.689	+0.008	−0.019
35	17.565	08.756	17.477	08.676	+0.088	+0.080	17.554	08.757	+0.011	−0.001
36	20.452	05.833	20.353	05.733	+0.099	+0.100	20.442	05.826	+0.010	+0.007
37	23.331	602.891	23.223	602.791	+0.108	+0.100	23.325	602.896	+0.006	−0.005
38	26.227	Blend	26.089	599.850	+0.138	⋯	26.204	599.968	+0.023	⋯
39	29.105	597.044	28.949	96.909	+0.156	+0.135	29.078	97.042	+0.027	+0.002
40	31.998	94.106	31.804	93.967	+0.194	+0.139	31.950	94.117	+0.048	−0.011

J	R(J)	P(J)
0	1414.39
1	17.37	1408.47
2	20.37	05.52
3	23.40	1402.60
4	26.41^a	1399.69
5	29.44^a	96.79
6	32.50^a	93.92
7	35.61^a	91.04
8	38.68^a	88.20
9	41.78	85.36
10	44.85	82.51
11	47.97	79.71
12	51.09	76.90
13	54.22	74.09
14	57.33	71.32
15	60.45	68.54
16	63.59	65.75
17	66.74	63.00
18	69.88	60.23
19	72.97	57.46
20	76.09^a	54.71^a
21	79.20^a	51.96^a
22	82.36^a	49.23^a
23	85.44^a	46.45^a
24	88.56	43.73^a
25	91.64	40.93
26	94.72	38.15
27	1497.81	35.31
28	1500.86	32.57^a
29	03.91	29.79^a
30	06.98^a	27.04
31	09.99^a	24.23
32	13.09^a	21.44
33	16.02	18.64
34	19.04	15.82
35	22.07	12.98

	3ν₂¹−ν₂¹⁽^c⁾		3ν₂¹−ν₂¹⁽^d⁾
J	R(J)	P(J)	R(J)	P(J)
1	1407.44^a		1407.44^a
2	10.47^a	1395.55^a	10.47^a	1395.55^a
3	13.58^a	92.63^a	13.40^a	92.63^a
4	16.67	89.71^a	16.38	89.71^a
5	19.80	86.81^a	19.38	86.81^a
6	22.92	83.90^a	22.36	83.90^a
7		81.08^a	25.37	81.08^a
8		78.39	28.39	78.04
9		75.60	31.41	75.15
10		72.84	34.45	72.27
11		70.08	37.49	69.36
12	42.15^a	67.38	40.51	66.50
13	45.40	64.65	43.60	63.64
14	48.72	61.99	46.62	60.72
15	52.05	59.35	49.68	57.90
16	55.37	56.71	52.73	55.07
17	58.75^a	54.07	55.76
18	61.96^a	51.50	58.75^a
19	65.47	48.93^a	61.96^a
20	68.83		64.93
21	72.15		68.00
22	75.63^a	41.26	71.01
23			74.06
24		36.25	77.10
25			80.14
26	89.10		83.36
27	92.41
28	95.79
29	1499.21
30	1502.65
31	06.11
32	09.64

Band	ν₀	B_{v₁v₂^lv₃}	D_{v₁v₂^lv₃}
		B_00⁰0=1.478219^a	D_00⁰0=2.98₄×10⁻⁶
ν₂	711.98₂	B_01¹0⁽^PR⁾=1.47805₈	D_10¹0⁽^PR⁾=3.03₄×10⁻⁶
2ν₂⁰	1411.42	B_02⁰0⁽^PR⁾=1.4900
3ν₂¹−ν₂¹	1401.50	B_03¹0⁽^Q⁾=1.496₅
		B_03¹0⁽^PR⁾=1.481₄

	Present measurements (Obs.)		Calculated positions using constants of Rank et al.^a		Obs.-Calc. (Rank et al.)		Calculated positions using constants from the present work^b		Obs.-Calc. (present work)
J	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)	R(J)	P(J)
0
1	717.896		717.894		+0.002		717.894		+0.002
2	20.846	706.079	20.849	706.070	−0.003	+0.009	20.850	706.069	−0.004	+0.010
3	23.801	03.118	23.804	03.112	−0.003	+0.006	23.803	03.112	−0.002	+0.006
4	26.757	700.155	26.758	700.155	−0.001	0.000	26.759	700.155	−0.002	0.000
5	29.718	697.186	29.712	697.199	+0.006	−0.013	29.710	697.198	+0.008	−0.012
6	32.663	94.238	32.665	94.242	−0.002	−0.004	32.664	94.241	−0.001	−0.003
7	35.612	91.286	35.617	91.285	−0.005	+0.001	35.616	91.284	−0.004	+0.002
8	38.567	88.343	38.568	88.329	−0.001	+0.014	38.566	88.327	+0.001	+0.016
9	41.506	85.362	41.518	85.372	−0.012	−0.010	41.515	85.371	−0.009	−0.009
10	44.453	82.403	44.467	82.416	−0.014	−0.013	44.465	82.415	−0.012	−0.012
11	47.398	79.450	47.415	79.460	−0.017	−0.010	47.412	79.459	−0.014	−0.009
12	50.371	76.488	50.362	76.505	+0.009	−0.017	50.359	76.503	+0.012	−0.015
13	53.309	73.542	53.307	73.550	+0.002	−0.008	53.303	73.548	+0.006	−0.006
14	56.262	70.596	56.250	70.595	+0.012	+0.001	56.247	70.594	+0.015	+0.002
15	59.194	67.644	59.192	67.641	+0.002	+0.003	59.188	67.639	+0.006	+0.005
16	62.138	64.683	62.132	64.687	+0.006	−0.004	62.129	64.686	+0.009	−0.003
17	65.059	61.730	65.070	61.734	−0.011	−0.004	65.068	61.734	−0.009	−0.004
18	67.995	58.773	68.006	58.782	−0.011	−0.009	68.004	58.782	−0.009	−0.009
19	70.942	55.823	70.940	55.830	+0.002	−0.007	70.939	55.831	+0.003	−0.008
20	73.866	52.883	73.871	52.878	−0.005	+0.005	73.872	52.880	−0.006	+0.003
21	76.791	49.911	76.800	49.927	−0.009	−0.016	76.802	49.931	−0.011	−0.020
22	79.718	46.973	79.727	46.977	−0.009	−0.004	79.731	46.982	−0.013	−0.009
23	82.650	44.030	82.651	44.027	−0.001	+0.003	82.657	44.035	−0.007	−0.005
24	85.568	41.067	85.572	41.078	−0.004	−0.011	85.581	41.089	−0.013	−0.022
25	88.502	38.130	88.491	38.129	+0.011	+0.001	88.503	38.144	−0.001	−0.014
26	91.409	35.189	91.406	35.181	+0.003	+0.008	91.421	35.198	−0.012	−0.009
27	94.295	32.238	94.317	32.234	−0.022	+0.004	94.337	32.256	−0.042	−0.018
28	797.230	29.293	797.226	29.287	+0.004	+0.006	797.250	29.314	−0.020	−0.021
29	800.152	26.342	800.131	26.341	+0.021	+0.001	800.160	26.373	−0.008	−0.031
30	03.072	23.431	03.032	23.395	+0.040	+0.036	03.068	23.434	+0.004	−0.003
31	05.967	20.486	05.930	20.450	+0.037	+0.036	05.972	20.496	−0.005	−0.010
32	08.870	17.548	08.823	17.506	+0.047	+0.042	08.873	17.560	−0.003	−0.002
33	11.786	14.612	11.712	14.562	+0.074	+0.050	11.770	14.623	+0.016	−0.010
34	14.672	11.670	14.597	11.618	+0.075	+0.052	14.664	11.689	+0.008	−0.019
35	17.565	08.756	17.477	08.676	+0.088	+0.080	17.554	08.757	+0.011	−0.001
36	20.452	05.833	20.353	05.733	+0.099	+0.100	20.442	05.826	+0.010	+0.007
37	23.331	602.891	23.223	602.791	+0.108	+0.100	23.325	602.896	+0.006	−0.005
38	26.227	Blend	26.089	599.850	+0.138	⋯	26.204	599.968	+0.023	⋯
39	29.105	597.044	28.949	96.909	+0.156	+0.135	29.078	97.042	+0.027	+0.002
40	31.998	94.106	31.804	93.967	+0.194	+0.139	31.950	94.117	+0.048	−0.011

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Equations (6)

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