Performance of the Beckman IR-7 Infrared Spectrophotometer I. Frequency Reproducibility and Accuracy (630–4000 cm<sup>−1</sup>)

Peter J. Krueger

doi:10.1364/AO.1.000443

Applied Optics
Vol. 1,
Issue 4,
pp. 443-453
(1962)
•https://doi.org/10.1364/AO.1.000443

Performance of the Beckman IR-7 Infrared Spectrophotometer I. Frequency Reproducibility and Accuracy (630–4000 cm⁻¹)

Peter J. Krueger

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Peter J. Krueger, "Performance of the Beckman IR-7 Infrared Spectrophotometer I. Frequency Reproducibility and Accuracy (630–4000 cm⁻¹)," Appl. Opt. 1, 443-453 (1962)

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Abstract

A modified Beckman IR-7 prism/grating infrared spectrophotometer has been calibrated with an absolute accuracy of up to ±0.05 cm⁻¹ from 630 cm⁻¹ to 2050 cm⁻¹, and with an absolute accuracy of the order of ±0.10 cm⁻¹ from 2000 cm⁻¹ to 4000 cm⁻¹. This represents an improvement over the manufacturer’s specifications by factors ranging between 10 for the longer wavelengths and 50 for the shorter wavelengths. The frequency reproducibility of the modified instrument and the linearity of the frequency (wave number) presentation have been critically examined.

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Fiducial scale (cm⁻¹)	0	1	2	3	4	5	6	7	8	9
630	—	—	—	—	634.54	635.53	636.52	637.51	638.50	639.49
640	640.48	641.47	642.46	643.45	644.45	645.44	646.43	647.43	648.42	649.41
650	650.40	651.37	652.35	653.34	654.33	655.31	656.30	657.28	658.27	659.25
660	660.25	661.24	662.23	663.21	664.20	665.19	666.18	667.16	668.15	669.14
670	670.13	671.12	672.10	673.09	674.08	675.07	676.06	677.05	678.04	679.03
680	680.01	681.00	681.98	682.97	683.96	684.95	685.95	686.94	687.93	688.92
690	689.91	690.90	691.89	692.89	693.88	694.87	695.86	696.86	697.85	698.85
700	699.85	700.82	701.81	702.81	703.81	704.81	705.82	706.82	707.83	708.83
710	709.83	710.83	711.83	712.84	713.84	714.84	715.83	716.82	717.82	718.81
720	719.81	720.81	721.80	722.79	723.78	724.77	725.76	726.75	727.75	728.74
730	729.71	730.72	731.71	732.70	733.69	734.68	735.68	736.67	737.66	738.65
740	739.64	740.64	741.63	742.62	743.61	744.60	745.59	746.58	747.57	748.56
750	749.55	750.55	751.55	752.55	753.55	754.56	755.56	756.56	757.57	758.57
760	759.57	760.58	761.58	762.58	763.59	764.59	765.59	766.60	767.60	768.60
770	769.60	770.60	771.61	772.61	773.61	774.61	775.61	776.62	777.62	778.62
780	779.62	780.62	781.62	782.62	783.62	784.62	785.62	786.62	787.61	788.61
790	789.61	790.61	791.61	792.60	793.60	794.60	795.60	796.60	797.60	798.60
etc.
	Proportional Parts:
		0.1	0.2	0.3	0.4	0.5	0.6	0.7	0.8	0.9

		0.10	0.20	0.30	0.40	0.50	0.60	0.70	0.80	0.89

J	Jones et al.^a (cm⁻¹)	Fiducial values (cm⁻¹)
J	Jones et al.^a (cm⁻¹)	Mean^b	Max. deviation from mean
P-16	691.45	691.43	±0.03
P-15	693.80	693.89	±0.01
P-14	696.15	696.21	±0.02
P-13	698.55	698.67	±0.04
P-12	700.90	701.01	±0.02
P-11	703.25	703.38	±0.03
P-10	705.60	705.77	±0.03
P-9	707.95	708.10	±0.03
P-8	710.30	710.48	±0.00
P-7	712.65	712.81	±0.04
P-6	715.10	715.22	±0.02
P-5	717.35	717.53	±0.00
P-4	719.90	720.03	±0.05
P-3	722.05	722.31	±0.04
P-2	724.35	724.63	±0.03
R-1	733.85	734.08	±0.00
R-2	736.15	736.47	±0.02
R-3	738.55	738.88	±0.03
R-4	740.85	741.21	±0.04
R-5	743.25	743.56	±0.02
R-6	745.65	746.00	+0.05
R-7	748.00	748.40	±0.03
R-8	750.35	750.69	±0.01
R-9	752.70	753.11	±0.02
R-10	755.10	755.49	±0.01
R-11	757.45	757.79	±0.04
R-12	759.85	760.16	±0.02
R-13	762.10	762.50	±0.03
R-14	764.50	764.79	±0.01
R-15	766.75	767.14	±0.04
R-16	769.10	769.48	±0.03
R-17	771.45	771.78	±0.03
R-18	773.80	774.18	±0.04
R-19	776.10	776.52	±0.02
R-20	778.45	778.89	±0.01
R-21	780.75	781.23	±0.00
R-22	783.05	783.57	±0.02
R-23	785.40	785.94	±0.01

IUPAC Tables^a (cm⁻¹)	Fiducial values (cm⁻¹)
IUPAC Tables^a (cm⁻¹)	Mean^b	Max. deviation from mean
1265.50	1266.44	±0.01
1267.9	1268.81	±0.04
1271.5	1272.49	±0.01
1275.20	1276.16	±0.03
1281.65	1282.70	±0.00
1287.8	1289.02	±0.03
1292.65	1293.95	±0.00
1297.65	1299.02	±0.02
1311.45	1312.75	±0.03
1316.8	1318.16	±0.03
1322.10	1323.44	±0.01
1327.25	1328.53	±0.04
1332.45	1333.79	±0.04
1336.85	1338.29	±0.04
1337.65	1338.94	±0.04
1341.8	1342.99	±0.01
1342.8	1344.03	±0.03
1347.9	1349.24	±0.01
1353.10	1354.36	±0.03
1355.55	1356.69	±0.01
1358.1	1359.28	±0.03
1366.05	1367.16	±0.03
1368.55	1369.60	±0.05

J	IUPAC Tables (cm⁻¹)	Fiducial values (cm⁻¹)
J	IUPAC Tables (cm⁻¹)	Mean^a	Max. deviation from mean
P-11	2099.09	2101.34	±0.08
P-10	2103.27	2105.71	±0.09
P-9	2107.43	2109.98	±0.04
P-8	2111.55	2114.25	±0.03
P-7	2115.63	2118.25	±0.07
P-6	2119.68	2122.27	±0.11
P-5	2123.70	2126.39	±0.05
P-4	2127.69	2130.27	±0.03
P-3	2131.64	2134.11	±0.09
P-2	2135.55	2138.12	±0.04
P-1	2139.43	2142.06	±0.04
R-0	2147.09	2149.83	±0.05
R-1	2150.86	2153.73	±0.09
R-2	2154.60	2157.53	±0.07
R-3	2158.30	2161.10	±0.06
R-4	2161.97	2164.70	±0.02
R-5	2165.60	2168.41	±0.03
R-6	2169.20	2171.96	±0.04
R-7	2172.76	2175.71	±0.03
R-8	2176.29	2179.23	±0.05
R-9	2179.77	2182.67	±0.03
R-10	2183.23	2186.10	±0.08
R-11	2186.64	2189.51	±0.05
R-12	2190.02	2192.85	±0.03
R-13	2193.36	2196.13	±0.03
R-14	2196.66	2199.38	±0.06
R-15	2199.93	2202.65	±0.11

J	IUPAC Tables (cm⁻¹)	Fiducial Values (cm⁻¹)
J	IUPAC Tables (cm⁻¹)	Mean^a	Max. deviation from mean
P-21	3245.1	3249.72	±0.10
P-20	3248.5	3253.56	±0.12
P-19	3251.8	3257.07	±0.09
P-18	3255.15	3260.27	±0.09
P-17	3258.45	3263.53	±0.09
P-16	3261.7	3266.75	±0.23
P-15	3265.0	3269.96	±0.20
P-14	3268.2	3273.22	±0.12
P-13	3271.45	3276.46	±0.18
P-12	3274.65	3279.67	±0.21
P-11	3277.8	3282.83	±0.15
P-10	3281.0	3286.07	±0.19
P-9	3284.1	3289.29	±0.11
P-8	3287.25	3292.33	±0.13
P-7	3290.35	3295.51	±0.07
P-6	3293.4	3298.47	±0.13
P-5	3296.5	3301.39	±0.25
P-4	3299.5	3304.48	±0.08
P-3	3302.55	3307.59	±0.15
P-2	3305.55	3310.57	±0.07
P-1	3308.5	3313.68	±0.04
R-O	3314.4	3319.75	±0.17
R-1	3317.3	3322.78	±0.12
R-2	3320.2	3325.47	±0.09
R-3	3323.1	3328.16	±0.08
R-4	3325.95	3330.76	±0.24
R-5	3328.8	3333.80	±0.18
R-6	3331.6	3336.67	±0.25
R-7	3334.35	3339.54	±0.12
R-8	3337.15	3342.35	±0.11
R-9	3339.9	3345.21	±0.15
R-10	3342.6	3347.81	±0.09
R-11	3345.3	3350.60	±0.06
R-12	3348.0	3353.29	±0.01
R-13	3350.65	3355.96	±0.04
R-14	3353.3	3358.59	±0.19
R-15	3355.9	3361.15	±0.05
R-16	3358.5	3363.84	±0.10
R-17	3361.05	3366.52	±0.06
R-18	3363.6	3369.07	±0.25
R-19	3366.15	3371.55	±0.11
R-20	3368.65	3374.16	±0.04
R-21	3371.1	3376.61	±0.07
R-22	3373.6	3379.07	±0.03
R-23	3376.0	3381.47	±0.11
R-24	3378.45	3383.90	±0.10

Order	Calibrant	Region (cm⁻¹)	No. of lines measured	Average max. deviation (cm⁻¹) from mean	Standard deviation from mean (cm⁻¹)^a	Percentage within standard deviation
1	C₂H₂	691–786	38	±0.02	±0.02	77
2	CH₄	1265–1368	23	±0.02	±0.02	70
3	CO	2099–2200	27	±0.06	±0.05	78
4	HCN	3245–3379	46	±0.12	±0.10	62

Garing et al.17^a		This work (cm⁻¹)	Δ (cm⁻¹)^b
Line no.	Frequency (cm⁻¹)	This work (cm⁻¹)	Δ (cm⁻¹)^b
91	670.19	670.13	+0.06
108	690.16	690.18	−0.02
111	692.29	692.28	+0.01
115	700.95	700.90	+0.05
117	702.94	702.95	−0.01
122	707.04	707.06	−0.02
126	709.65	709.61	+0.04
133	712.31	712.28	+0.03
134	713.99	714.03	−0.04
136	716.23	716.27	−0.04
137	719.65	719.70	−0.05
141	723.28	723.26	+0.02
145	726.11	726.13	−0.02
151	728.57	728.58	−0.01
155	732.30	732.30	0.00
156	732.95	732.89	+0.06
157	735.14	735.09	+0.05
158	736.51	736.55	−0.04
160	737.51	737.47	+0.05
161	739.37	739.39	−0.02
162	741.62	741.61	+0.01
165	743.30	743.25	+0.05
166	743.96	743.90	+0.06
167	744.48	744.50	−0.02
170	745.41	745.35	+0.06
178	748.80	748.75	+0.05
180	749.86	749.85	+0.01
181	751.61	751.65	−0.04
182	753.59	753.62	−0.03
183	755.63	755.66	−0.03
184	756.59	756.60	−0.01
186	758.93	758.87	+0.06
188	760.69	760.73	+0.04
189	761.91	761.92	−0.01
190	762.64	762.62	+0.02
191	764.07	764.13	−0.06
193	764.82	764.75	+0.07
194	765.55	765.59	−0.04
195	766.23	766.29	−0.06
197	767.03	767.07	−0.04

J	Frequency (cm⁻¹)		Δ₁ (cm⁻¹)^a	Δ₂ (cm⁻¹)^b
J	Bell and Nielsen12	This work	Δ₁ (cm⁻¹)^a	Δ₂ (cm⁻¹)^b
P-20	1282.3	1282.36	−0.06	+0.12
P-19	1284.6	1284.55	+0.05	+0.17
P-18	1286.8	1286.72	+0.08	+0.14
P-17	1289.0	1288.99	+0.01	+0.11
P-16	1291.2	1291.27	−0.07	+0.05
P-15	1293.5	1293.47	+0.03	+0.10
P-14	1295.8	1295.78	+0.02	+0.13
P-13	1298.0	1298.08	−0.08	+0.17
P-12	1300.3	1300.41	−0.11	+0.06
P-11	1302.7	1302.64	+0.06	+0.20
P-10	1304.9	1304.94	−0.04	+0.12
P-9	1307.2	1307.23	−0.03	+0.15
P-8	1309.5	1309.60	−0.10	+0.16
P-7	1311.8	1311.87	−0.07	+0.15
P-6	1314.2	1314.19	+0.01	+0.23
P-5	1316.4	1316.48	−0.08	+0.09
P-4	1318.7	1318.78	−0.08	+0.01
P-3	1321.1	1321.12	−0.02	+0.17
P-2	1323.5	1323.47	+0.03	+0.18
P-1	1325.8	1325.77	+0.03	+0.20
R-0	1330.6	1330.48	+0.12	+0.25
R-1	1333.0	1332.77	+0.23	+0.23
R-2	1335.3	1335.15	+0.15	+0.11
R-3	1337.7	1337.53	+0.17	+0.12
R-4	1340.1	1340.03	+0.07	+0.20
R-5	1342.4	1342.38	+0.02	+0.06
R-6	1344.9	1344.85	+0.05	+0.12
R-7	1347.1	1347.21	−0.11	−0.07
R-8	1349.7	1349.64	+0.06	+0.08
R-9	1352.1	1352.05	+0.05	+0.08
R-10	1354.4	1354.45	−0.05	−0.13
R-11	1356.9	1356.90	0.00	+0.06
R-12	1359.3	1359.33	−0.03	+0.03
R-13	1361.8	1361.74	+0.06	+0.19
R-14	1364.2	1364.20	0.00	+0.21
R-15	1366.6	1366.60	0.00	−0.02
R-16	1369.1	1369.06	+0.04	+0.20
Algebraic mean =			+0.01	+0.14

J	Frequency (cm⁻¹)		Δ(cm⁻¹)^a
J	Thompson and Williams15	This work	Δ(cm⁻¹)^a
P-47	2177.01	2177.16	−0.15
P-46	2178.15	2178.26	−0.11
P-45	2179.25	2179.39	−0.14
P-44	2180.36	2180.56	−0.20
P-43	2181.52	2181.52	0
P-42	2182.64	2182.58	+0.06
P-41	2183.78	2183.71	+0.07
P-40	2184.89	2184.86	+0.03
P-38	2187.11	2187.25	−0.14
P-37	2188.18	2188.34	−0.16
P-36	2189.32	2189.38	−0.06
P-35	2190.38	2190.42	−0.04
P-34	2191.44	2191.50	−0.06
P-33	2192.45	2192.53	−0.08
P-32	2193.50	2193.55	−0.05
P-31	2194.59	2194.55	+0.04
P-30	2195.66	2195.64	−0.02
P-29	2196.69	2196.65	−0.04
P-28	2197.73	2197.90	−0.17
P-25	2200.79	2200.81	−0.02
P-24	2201.76	2201.90	+0.14
P-16	2209.51	2209.57	−0.06
P-15	2210.44	2210.45	−0.01
P-14	2211.40	2211.43	−0.03
P-13	2212.30	2212.44	−0.14
P-12	2213.23	2213.44	−0.21
P-11	2214.14	2214.38	−0.24
P-10	2215.08	2215.18	−0.10
P-9	2215.93	2216.15	−0.22
P-8	2216.82	2216.92	−0.10
P-7	2217.71	2217.87	−0.16
P-6	2218.61	2218.70	−0.09
P-5	2219.49	2219.65	−0.16
P-4	2220.38	2220.41	−0.03
P-3	2221.22	2221.26	−0.04
P-2	2222.03	2222.07	−0.04
P-1	2222.90	2222.87	+0.03
R-29	2245.64	2245.75	−0.11
R-30	2246.28	2246.36	−0.08
R-32	2247.52	2247.50	+0.02
R-33	2248.10	2248.14	−0.04
R-34	2248.68	2248.70	−0.02
R-35	2249.29	2249.18	+0.11
R-36	2249.84	2249.81	+0.03
R-37	2250.44	2250.36	+0.08
R-38	2251.00	2250.91	+0.09
R-39	2251.59	2251.55	+0.04
R-40	2252.10	2252.03	+0.07
R-41	2252.65	2253.57	+0.08

J	Frequency (cm⁻¹)		Δ(cm⁻¹)^a
J	Günthard et al.16	Present work	Δ(cm⁻¹)^a
P-27	3064.70	3064.53	+0.17
P-26	3066.16	3066.10	+0.06
P-25	3067.62	3067.49	+0.13
P-24	3069.04	3068.85	+0.19
P-23	3070.38	3070.36	+0.02
P-22	3071.71	3071.89	−0.18
P-21	3073.10	3073.22	−0.12
P-20	3074.49	3074.62	−0.13
P-19	3075.89	3075.94	−0.05
P-18	3077.26	3077.30	−0.04
P-17	3078.58	3078.48	+0.10
P-16	3079.90	3079.99	−0.09
P-15	3081.29	3080.92	+0.37
P-14	3082.73	3082.33	+0.40
P-13	3084.15	3083.93	+0.21
P-12	3085.57	3085.70	+0.13
P-11	3086.45	3086.47	−0.02
P-10	3087.81	3087.96	−0.15
P-9	3089.29	3089.50	−0.21
P-8	3090.78	3090.90	−0.12
P-7	3092.17	3092.22	−0.05
P-6	3093.65	3093.58	+0.07
P-5	3095.10	3095.05	+0.05
P-4	3096.47	3096.50	−0.03
R-2	3105.40	3105.35	+0.05
R-3	3106.70	3106.88	−0.18
R-4	3108.10	3108.19	−0.09
R-5	3109.47	3109.40	+0.07
R-6	3110.53	3110.60	−0.07
R-7	3111.98	3111.90	−0.01
R-8	3113.25	3113.23	+0.02
R-9	3114.59	3114.55	+0.04
R-10	3116.33	3116.27	+0.06
R-11	3117.68	3117.65	+0.03
R-12	3118.87	3118.81	+0.06
R-13	3120.17	3120.06	+0.11
R-14	3121.51	3121.33	+0.18
R-15	3122.72	3122.71	+0.01
R-16	3124.07	3123.98	+0.09
R-17	3125.38	3125.22	+0.16
R-18	3126.73	3126.57	+0.16

Order	Gas	Region (cm⁻¹)	No. of lines measured	Literature reference	Average deviation from literature values (cm⁻¹)	Algebraic mean of deviations (cm⁻¹)	Standard deviation (cm⁻¹)	Percentage with standard deviation
1	NH₃	670–767	40	17	±0.03₅	+0.00₅	±0.04₀	65
2	C₂H₂	1282–1369	37	12	±0.06₁	+0.01	±0.07₉	81
3	N₂O	2177–2253	49	15	±0.08₆	−0.05	±0.10₆	73
4	cyclo-C₃H₆	3064–3126	41	16	±0.10₉	+0.03₉	±0.14₀	73

Abstract

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Figures (5)

Tables (12)

Applied Optics