Guide For Infrared Spectroscopy
Bruker OpticsGuide forInfrared SpectroscopyAnalyticalthink for wardLife ScienceProcessSpectroscopy
IndexIR-Spectroscopy & Physical TablesIR-Window Material1Infrared Tables23Near Infrared Table5Sources6DetectorsBeamsplitters78Conversion Table of Energy and Wavelength Unitsfor Far and Mid Infrared9Conversion Table of Energy and Wavelength Unitsfor Near Infrared, Visible and UV10Conversion Table of Transmittance and Absorbance Units11SI Unit System (Système International)12Selected Force Constants and Bond Ordersof Organic and Inorganic Compounds13Conversion Factors for Important Physical Units15Raman Laser Sources and Stokes Shifts16Conversion Tables for Length, Volume, Temperature, Pressure17
IR-Window MaterialMaterialTransmissionRange [cm-1]([micrometer])RefractiveIndex n at2000 cm-1Reflectance lossper 75-3.6)1.46 3.3 %461Insoluble in water; soluble in HF.UV SapphireAL 2O 366,000-2,000(0.15-5.0)1.75 7.3 %1370Very slightly soluble in acids andbases.SiliconSi10,000-100(1.0-100)3.42 30 %1150Insoluble in most acids and bases;soluble in HF and HNO3.Calcium FluorideCaF266,000-1,200(0.15-8.0)1.40 2.8 %158Barium FluorideBaF250,000-900(0.2-11)1.45 3.3 %82Zinc Sulfide,CleartranZnS22,000-750(0.45-13.0)2.25 15 %355Soluble in acid; insoluble in waterGermaniumGe5,000-600(2.0-17)4.01 36 %550Insoluble in water; soluble in hotH2SO 4and aqua regia.Sodium ChlorideNaCl28,000-700(0.35-15)1.52 4.5 %15AMTIRGeAsSe Glass11,000-900(0.9-11)2.50 18 %170Insoluble in water. Soluble in bases.Zinc SelenideZnSe20,000-500(0.5-20)2.43 17 %150Soluble in strong acids; dissolves inHNO 3.Silver ChlorideAgCl23,000-400(0.42-25)2.00 11 %10PotassiumBromideKBr33,000-400(0.3-25)1.54 4.5 %7Soluble in water, alcohol, andglycerine; hygroscopic.Cesium IodideCsl33,000-150(0.3-70)1.74 7.3 %20Soluble in water and .38 17 %40Soluble in warm water; soluble inbases; insoluble in acids.Polyethylene PE(high density)600-10(16-1,000)1.52 4.5 %5DiamondC45,000-10(0.22-1,000)2.40 17 %TPX MethylpenteneResin350-10(28-1,000)1,43 3.3 %7000Chemical PropertiesInsoluble in water; resists most acidsand bases; soluble in NH 4 salts.Low water solubility; soluble in acidand NH 4Cl.Hygroscopic; sligthly solublein alcohol and NH 3.Insoluble in water; soluble in NH 4OH.Resistant to most solvents.Insoluble in water, acids, and bases.Similar to PE but transparent andmore rigid2
Infrared Tables340032003000X2800CH 3O HHHH26002400C HC CCH2C NCHO N2CH 3OCH 2S C NCO 2N CH 3N3HC CArOH AcidsON C NHC C OHOH AcidsNH 2OC NH 2ON COHC CN C SC NH AcidsOC NH 2OC NH 2N-C C NIn solutionIn solid stateOC NH In solutionOC NHIn solid state NH 3 NH 2NH N HS HOHP O3 C C CNHIn solution2000C CHOC C H2200CH 2O3600P Hwavenumber[cm-1]
Infrared Tables1800170016001500NH 2Anhydrides CH CHN NUrethanesC C H AlkenesOO-N HNCC CNAryl conj.4 neighbouring aromatic C HDienes, Trienes etc.OCOC C3 neighbouring aromatic C H2 neighbouring aromatic C HO1 isolated aromatic C HC NO 2Benzenes, Pyridines etc.Saturated aldehydesO NO 2C NO 2Saturated ketonesO NO 2RO5 neighbouring aromatic C HC CSaturated esterswavenumber-1[cm ]TransC C4-Ring ketones700OCH 3COConj. cycl. C N5-Ring ketones8003C NImidesC C900C ( C H 3 ( 2(Double band)C CLactames4-Ring lactonesC ( CH 3 (NH 3C NO O C CCO5-Ring lactones10001100AlkanesOCH 3O CO NH 31200AlkanesNHAcid chloridesPeracids13001400AlkanesN NO 2N NO 2O S RCONC N O O-N O-C SO N ON N OAryl- and α, β-unsaturated estersα-Halogen esters and α-ketoestersSOC S NHSO 2α, β-Unsaturated 5-ring lactonesSO2 Nβ, γ-Unsaturated 5-ring lactonesAldehydes, ketones or esterswith intramolecular H-bondsSO2 NS O2 OS O2 OAryl- and unsaturated aldehydesAryl- and α, β-unsaturated ketonesα, β-, α’, β’-Unsaturated ketones, quinonesα-Halogen- and α, α’-dihalogen ketones1, 2-DiketoneSaturated carboxylic acidsC ClAryl- and α, β-unsaturated carboxylic acidsα-Halogen carboxylic acidsCarboxylat ionsPrimary amides in solutionPOAlkylOPN-monosubst. amides in solutionN-monosubst. amides in solid stateN, N-disubst. amidesAlkylPPrimary amides in solid statePPOArylOOOHOHC F4
Near Infrared TableNear Infrared BandAssignment TableSecond Overtone RegionCombinationsFirst Overtone RegionThird Overtone RegionO-Hst1 OvertoneO-HC-HN-Hndth4 Overtone 3rd Overtone 2 OvertoneO-H3rd OvertoneWavenumber 14286 12500ν [cm-1]C-HN-H3rd Overtone 2nd CONH2 (R)C-CCH316001700CHCHOCH215004348H 2OCHCH31300C-H 882H2OCONHRCHCH28006250C-H C-HCombinationsN-H & O-HCombinationsO-HCombinationsArOH CONH2 RNH2CHCH36667C 0 Stretch2nd OvertoneH2OArCHCH2C-Hst1 OvertoneN-H1st Overtone7143N-HCombinationsS-Hst1 OvertoneROHArOHCH58333ROHArOH RNH270090911 Overtone ofC-HCombinationsH2OROHWavelengthλ [nm]C-H2nd OvertonestCH2CH3180019002000210022002300
SourcesHe Ne LASERλ 0.6328 µmWAVELENGTH10 µm1µm250nm1000 µm100 MBER [cm-1]6
DetectorsHe Ne LASERλ 0.6328 µmlogD* [cm HZ/W]130Si10D5ASaInG24D412DETECTIVITY1000 µm100 µm52PDGaWAVELENGTH10 µm1µm250nmAsTEaInGD211-F27D4bInS11331T D 163MCDTMC23TESi Bolometer D21131D44sDInASiB0D32room IR01S D2LaTGPE/DWAVENUMBER [cm-1]Valid for FT-IR spectrometers2D30104
BeamsplittersHe Ne LASERλ 0.6328 µmWAVELENGTH10 µm1µm250nmBrT301KT401CaF2 VIS/NIRMultilayer T222T302CsIT602CaF2 UV/VIS/NIR1000 µm100 µm25µm T20450µm T205EFFICIENCY125µm 4FIRMIRWAVENUMBER [cm-1]8
Conversion Table of Energy and Wavelength UnitsWavenumber[cm-1]2.09Wavelength[µm]5 000.00Wavelength[nm]5 0000 00Frequency[GHz]60Electron Volt[eV].00 ngth[nm]41 667Frequency[GHz]7 195Electron Volt[eV].02 9764.02 500.002 500 000120.00 050260.038.4638 4627 7956.01 666.671 666 667180.00 074280.035.7135 7148 394.03 224.03 4728.01 250.001 250 000240.00 099300.033.3333 3338 994.03 72010.01 000.001 000 000300.00 124320.031.2531 2509 593.03 96712.0833.33833 333360.00 149340.029.4129 41210 193.04 21514.0714.29714 286420.00 174360.027.7827 77810 792.04 46316.0625.00625 000480.00 198380.026.3226 31611 392.04 71118.0555.56555 556540.00 223400.025.0025 00011 992.04 95920.0500.00500 000600.00 248500.020.0020 00014 990.06 19922.0454.55454 545660.00 273600.016.6716 66717 987.07 43924.0416.57416 667719.00 298700.014.2914 28620 985.08 67926.0384.62384 615779.00 322800.012.5012 50023 983.09 91928.0357.14357 143839.00 347900.011.1111 11126 981.11 15930.0333.33333 333898.00 3721 000.010.0010 00029 979.12 39832.0312.50312 500959.00 3971 100.09.099 09132 977.13 63834.0294.12294 1181 019.00 4221 200.08.338 33335 975.14 87836.0277.78277 7781 079.00 4461 300.07.697 69238 973.16 11838.0263.16263 1581 139.00 4711 400.07.147 14 341 971.17 358.18 59840.0250.00250 0001 199.00 4961 500.06.676 6 6744 96850.0200.00200 0001 499.00 6201 600.06.256 25047 966.19 83760.0166.67166 6671 799.00 7441 700.05.885 8 8250 964.21 07770.0142.86142 8572 099.00 8681 800.05.565 55653 962.22 31780.0125.00125 0002 398.00 9921 900.05.265 26 356 960.23 557.24 79790.0111.11111 1112 698.01 1162 000.05.005 00059 958100.0100.00100 0002 988.01 2402 200.04.554 5 4565 954.27 276110.090.9190 9093 298.01 3642 400.04.174 16771 950.29 756.32 236120.083.3383 3333 597.01 4882 600.03.853 8 4677 945130.076.9276 9233 897.01 6122 800.03.573 57183 941.34 716140.071.4371 4294 197.01 7363 000.03.333 33389 937.37 195.39 675150.066.6766 6674 497.01 8603 200.03.133 12595 933160.062.5062 5004 797.01 9843 400.02.942 9 41101 929.42 155170.058.8558 8245 096.02 1083 600.02.782 778107 924.44 634180.055.5655 5565 396.02 2323 800.02.632 6 32113 920.47 114190.052.6352 6325 696.02 3564 000.02.502 50 0119 916.49 594200.050.0050 0005 996.02 4805 000.02.002 000149 895.61 992220.045.4545 4556 595.02 7286 000.01.671 6 67179 874.74 390
Conversion Table of Energy and Wavelength UnitsWavenumber[cm-1]7 000.0Wavelength[µm]1.43Wavelength[nm]1 429Frequency[GHz]209 853Electron Volt[eV].86 7898 000.01.251 250239 832.99 1879 000.01.111 111269 8111.11 58610 000.01.001 000299 7901.23 98411 000.0.91909329 7691.36 38212 000.0.83833359 7481.48 78113 000.0.77769389 7271.61 17914 000.0.71714419 7061.73 57815 000.0.67667449 6851.85 97616 000.0.62625479 6641. 98 37417 000.0.59588509 6432.10 77318 000.0.56556539 6222.23 17119 000.0.53526569 6012.35 57020 000.0.50500599 5802.47 96822 000.0.45455659 5382.72 76524 000.0.42417719 4962.97 5623.22 35826 000.0.38385779 45428 000.0.36357839 4123.47 15530 000.0.33333899 3703.71 95232 000.0.31312959 3283.96 74934 000.0.292941 019 2864.21 54636 000.0.282781 079 2444.46 34238 000.0.262631 139 2024.71 13940 000.0.252501 199 1604.95 93650 000.0.202001 498 9506.19 92110
Conversion Table of Transmittance and Absorbance Units11Transmittance [%]AbsorbanceTansmittance 013.009.004.000
Physical Tables: SI Unit System (Système International)Fundamental SI SecondsElectric CurrentAmpereAThermodynamic TemperatureKelvinKAmount of SubstanceMolemolLight Intensity, LuminosityCandelacdSpecial SI-derived QuantitiesNameSymbolUnitsFrequencyHertzHzs -12 π rad 360 , 1 rad 57.2957795 rad s –1 [1 Hz 2 π rad s –1]Plane AngleAngular FrequencyRadianradSolid AngleSteradiansr4 π sr sphereForceNewtonNm kg s –2Pressure, StressPascalPaN m –2 m –1 kg s –2 [1 bar 10 5 Pa]Energy, Work, HeatJouleJN m m2 kg s –2Power, radiant fluxWattWJ s –1 m2 kg s –3Electric ChargeCoulombCAsElectric potential, emfVoltVJ C –1 m2 kg s –3 A –1Electrical ResistanceOhmΩV A –1 m2 kg s –3 A –2Electrical ConductanceSiemensSΩ–1 m –2 kg –1 s 3 A 2Electrical CapacitanceFaradFC V –1 m –2 kg –1 s 4 A 2Magnetic FluxWeberWbV s m2 kg s –2 A –1Magnetic Flux DensityTeslaTWb m –2 V s m –2 kg s –2 A –1InductanceHenryHV A –1 s m2 kg s –2 A –2Celsius Temperature CK C Temp.(K) – 273.15Light FluxLumenlmcd srIlluminanceLuxlxcd sr m –2Activity (radioactive decay)BecquerelBqs –1 [1 Curie (Ci) 37 GBq]Absorbed DoseGrayGyJ kg –1 m2 s–2 [1 rad 0.01 Gy]Equivalent Dose, Energy DoseSievertSvJ kg–1 m2 s–2 [1 rem 0.01 Sv]Other QuantitiesNameSymbolUnitsVolumeLiterL or ldm3 10 –3 m3 10 3 cm3LengthÅngströmÅ10 –10 mEnergyElectron VolteV1.6021764 x 10 –19 JViscosityηPa sDiffusion ConstantDm2 s –1Molar EnergyJ mol –1 m2 kg s –2 mol –1Molar EntropyJ K–1 mol –1 m2 kg s –2 K–1mol –1Electric Filed StrengthEV m –1 m kg s –3 A –1Magnetic Field StrengthHA m –1 N m –2 T–1 Pa T–112
Vibrational Spectroscopy:Selected Force Constants and Bond Orders of Organic and InorganicCompounds (according to Siebert)BondA-BH-H13ForceConst.f [N cm-1]5.14BondOrder0.77CompoundBondA-BForceConst.f [N cm-1]H2H-O7.40BondOrderCompound1.0HO 0.60AIH 4 —C-C16.53.2HCCHH-SI2.980.84SiH 4N-N22.423.2N2H-P3.110.82PH 3O-O11.411.4O2H-S4.291.0H .810.82GeH 42.0Si2H-As2.850.81AsH 3Si2H 6H-Se3.510.93H2Se3.840.98HBrSi-Si4.65Si-Si 1.7P-P5.562.1P2H-BrP-P2.070.95P4H-Sn2.030.76SnH 4S-S4.961.7S2H-Sb2.090.77SbH 0CH 4Ni-Ni0.110.2Ni solidC-B3.821.1B(CH 3 ) 3C-C r-Br2.361.1H2CCH2Br 2C-C7.61.7Rb-Rb0.08C 6H 60.2Rb2C-C4.41.1H 3CCH .8 18.562.8COHg-Hg1.691.5I2Hg22 41.6Bi2C-O7.861.3CO3O(CH 3 ) 2Se22 16.52-2-H-B2.750.68BH 3C-O5.10.96H-C5.501.0CH 4C-F6.981.1CF4H-N7.051.1NH 3C-P8.952.4HCPH-O8.451.1H 2OC-S7.672.0CS2
Vibrational Spectroscopy :Selected Force Constants and Bond Orders of Organic and InorganicCompounds (according to Siebert)BondA-BForceConst.f [N cm-1]BondOrder3.3C-ClC-NiC-SCompoundBondA-B1.0S(CH 3 ) 2O-O3.120.93CCl4O-O2.911.2Ni4COO-NaForceConst.f [N cm-1]6.185.70 3.2BondOrderCompound-0.89O20.83O3Na-OH 41.2(Rh(CN) 6 )O-Si9.252.1SiOC-Ag2.00.99(Ag(CN) 2 ) .1NH 2ClON-N16.012.4N-NNHO-Ca2.851.2CaON-N13.152.0N-N-N .1N-O N-O17.172.3NO2 3O-Ge7.531.874N-Si3.81.1((CH 3 ) 3Si) O 6(solid)GeON-S8.31.96.702.2RuO 43.10.87HNSOH -Ce6.332.6CeOO2O-Pr5.682.4PrOO2O-Nd3.51.6NdAc 3 0O-O11.411.43- 14
Conversion Factors for Important Physical UnitsEnergy EquivalentsJouleHertzcm –1KelvineVJoule11.5091905 E 335.03411762 E 227.242964 E 226.24150974 E 184.13566727 E–15Hertz6.62606876 E–3413.335640952 E–114.7992374 E–11cm –11.98644544 E–232.99792458 E 1011.43877521.239841857 E–04Kelvin1.3806503 E–232.0836644 E 100.695035618.617342 E–05eV1.602176462 E–192.417989491 E 148.06554477 E 031.1604506 E 041(based on the Fundamental Constants with E mc2 hc/λ hν kT and 1 eV (e/C) JForce Units (SI unit Newton, cgs unit dyne), Weight massxgn )Np (pond)kpdyneN1101.97160.10197161.0 E 05p0.0098066511.00 E–03980.665kp9.8066510001980665dyne1.0 E–051.019716 E–031.019716 E–061Energy and Work Units (SI unit Joule, cgs unit: 1 erg 10 –7 Joule)J Nmkp mkWhkcalBTUeVJ10.1019722.777778 E–072.390057 E–049.478134 E–046.241512 E 18kp m9.8066512.724069 E–062.343846 E–039.294874 E–036.120832 E 19kWh3.600 E 063.670978 E 051860.42073412.1282.246944 E 25kcal4184426.64931.162222 E–0313.9656512.611448 E 22BTU1055.061.075862 E 022.930722 E–012.521654 E–0116.585169 E 21ev1.602176 E–191.633765 E–204.450489 E–263.829293 E–231.518564 E–221Power Units (SI unit Watt)W J s –1kWkpm/sPScal/skcal/hW11.0 E–030.10197161.341022 E–030.23900570.8604207kW1.0 E 0665 E–0311.315093 66641.6157cal/s4.1844.184 E-030.42664935.610835 E–0313.6kcal/h1.1622221.162222 E–030.11851371.558565 E–030.27777781Pressure Units (SI unit Pascal)Pa N/m15Pa N/m2kp/m2atmbarTorr mmHgat kp/cm210.10197169.86923 E-061.0 E-057.500617 E-031.019716 E-05kp/m29.8066519.67841 E-059.80665 E-057.355592 E-021.0 E-04atm1.01325 E 051.033227 E 0411.013257601.033227bar1.0 E 051.019716E 315789 E-031.333224 E-0311.359510 E-03at kp/cm29.80665 E 041.0 E 040.96784119.800665 E-01735.559212
Conversion Factors for Important Physical UnitsTime Units (SI unit second)sminhdweekyears11.666667 E–022.777778 E–041.157407 E–051.653439 E–063.168874 E–08min6011.666667 E–026.944444 E–049.920635 E–051.901324 –06h36006014.166667 E–025.952381 E–031.140795 E–04d8640014402411.428571 E–012.737907 E–03week60480010080168711.916535 emperature Conversion (SI unit Kelvin)Kelvin (K)Centigrade ( C)Fahrenheit ( F)Rankine ( R)K1TC T K – 273.15T F (9/5)T K – 459.67T R (9/5)T K CT K TC 273.151T F (9/5)TC 32T R (9/5)(TC 273.15) FT K (5/9)(T F 459.67)TC (5/9)(T F - 32)1T R T F 459.67 RT K (9/5)T RTC (5/9)T R - 273.15T F T R – 459.671Stokes Shifts (0-3500cm-1) of Various Raman Laser SourcesWavenumber e20000Near Infrared10000Wavelength [nm]500016
Conversion TablesMetric to U. S. ConversionMetric1.00 mm17U. S. to Metric ConversionInch (“)U. S. (“)U. S (“)Metric0.0390.0621/161.59 mm1.80 mm0.0700.1251/83.18 mm2.00 mm0.0790.1883/164.76 mm3.00 mm0.1180.2501/46.35 mm3.20 mm0.1260.3135/167.94 mm4.00 mm0.1580.3753/89.53 mm4.30 mm0.1700.4387/1611.11 mm4.60 mm0.1810.5001/212.70 mm5.00 mm0.1970.5639/1614.29 mm6.00 mm0.2360.6255/815.86 mm7.00 mm0.2760.68811/1617.46 mm8.00 mm0.3150.7503/419.05 mm9.00 mm0.3550.81313/1620.64 mm1.00 cm0.3940.8757/822.22 mm2.00 cm0.7880.93815/1623.81 mm3.00 cm1.1821.0012.54 cm4.00 cm1.5762.0025.08 cm5.00 cm1.9703.0037.62 cm6.00 cm2.3644.00410.16 cm7.00 cm2.7585.00512.70 cm8.00 cm3.1526.00615.24 cm9.00 cm3.5467.00717.78 cm10.00 cm3.94010.01025.40 cm
Conversion TablesTubing Diameters and VolumesInch (“)No. of Wire Gage*Millimeter (mm)Volume µl/inVolume µl/cm0.001490.025Micron 0127032.16012.660* Gages taken from the American Wire or Brown & Sharpe Gage.18
Conversion TablesTemperature 96.33210-63.15-81.67475201.85395.33
Conversion TablesPressure ConversionPSITorrATMbar/10 3 00465300612.0604.810000517000680.4671.520
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IR-Spectroscopy & Physical Tables IR-Window Material Infrared Tables Near Infrared Table Sources Detectors Beamsplitters Conversion Table of Energy and Wavelength Units for Far and Mid Infrared Conversion Table of Ener
1. Introduction to Spectroscopy, 3rd Edn, Pavia & Lampman 2. Organic Spectroscopy – P S Kalsi Department of Chemistry, IIT(ISM) Dhanbad Common types? Fluorescence Spectroscopy. X-ray spectroscopy and crystallography Flame spectroscopy a) Atomic emission spectroscopy b) Atomic absorption spectroscopy c) Atomic fluorescence spectroscopy
Visible spectroscopy Fluorescence spectroscopy Flame spectroscopy Ultraviolet spectroscopy Infrared spectroscopy X-ray spectroscopy Thermal radiation spectroscopy Detecting and analyzing spectroscopic outputs The goal of all spectroscopic systems is to receive and analyze the radiation absorbed, emitted, .
1 Infrared spectroscopy Chapter content Theory Instrumentation Measurement techniques Mid-infrared (MIR) – Identification of organic compounds – Quantitative analysis – Applications in food analysis Near-infrared (NIR) – Properties of the technique – Applications in food analysis Infrared spectroscopy
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and cornetite were studied using a combination of infrared emission spectroscopy, infrared absorp-tion, and Raman spectroscopy. Infrared emission spectra of these minerals were obtained over the temperature range 100 to 1000 C. The infrared spectra of the three minerals are different, in line with differences in crystal struc-ture and .
conventions for infrared spectroscopy and for practical reasons are divided wavelengths of radiation to the area close to (A - NIR - Near infrared) 750-900 nm, medium (B-MIR - Middle infrared) from 1.55 to 1.75 micron and far (C - FIR - Far Infrared), 10.4 to 12.5 micron according to field use. To measure the amount of incident light are used
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service i Norge och Finland drivs inom ramen för ett enskilt företag (NRK. 1 och Yleisradio), fin ns det i Sverige tre: Ett för tv (Sveriges Television , SVT ), ett för radio (Sveriges Radio , SR ) och ett för utbildnings program (Sveriges Utbildningsradio, UR, vilket till följd av sin begränsade storlek inte återfinns bland de 25 största
