Terahertz spectroscopy of the ground state of methylamine (CH3NH2)

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Presentation transcript:

Terahertz spectroscopy of the ground state of methylamine (CH3NH2) Shanshan Yu and Brian Drouin

Introduction to CH3NH2 Torsional motion of CH3 Barrier heights 536 cm-1 Wagging motion of NH2 1366 cm-1 Woon, OSU 2007 (RH08)

Previous work on the ground state of CH3NH2 Hershberger and Turkevich (1947): first microwave spectrum The Shimoda, Nishikawa and Itoh group (1954, 1956, 1957) The Lide group (1952, 1953, 1954, 1957) Ohashi et al (1987): far-infrared transitions Kreglewski and Wlodarczak (1992) Kreglewski et al (1992) Ilyushin et al (2005) Ilyushin and Lovas (2007) ~700 lines in 3-470 GHz with uncertainties of 20–500 kHz ~1200 lines in 6-140 cm-1with uncertainties of 0.0007–0.001 cm-1

Our interest in CH3NH2 CH3NH2 exists in the simulated atmosphere of Titan (Drouin, 2006) CH3NH2 observed in the interstellar medium (Fourikis et al. 1974; Kaifu et al. 1974) CH3NH2: G12 symmetry Isoelectronic to CH3OH2+ Comprehensive experimental data available

Frequency Multiplier Submillimeter Spectrometer (FMSS) Experimental setup 30 mTorr CH3NH2 Pump Sample cell Si detector Multiplier chain … ×6 ×2 ×3 FM PC Rf Synthesizer Lock-in Reference Frequency Multiplier Submillimeter Spectrometer (FMSS)

Observed CH3NH2 spectrum 390-464 GHz 770-859 GHz 876-901 GHz 1061-1198 GHz 1575-1625 GHz

Energy levels of CH3NH2: G12 group Ohashi and Hougen, 1987  J, K, ′ Near-prolate asymmetric top J, K = Ka SPFIT B2 B1 Selections rules: A1 A2; B1 B2 E1 E1; E2 E2 (+1 +1; -1 -1; +1 -1) A2 A1

Matrix elements for CH3NH2 (I) Ohashi et al, 1987

Matrix elements for CH3NH2 (II) Ohashi et al, 1987

Matrix elements for CH3NH2 (III) DK = ±2 term Ohashi et al, 1987

Matrix elements for CH3NH2 (IV) DK = ±1 term Ohashi et al, 1989

SPFIT operators SPFIT operators = a +  () Regular operators 1: ×cosa 11: ×sina Regular operators 2 2 1000000000 -3.0984147127856E+003 1.000000E+037 h2v A1 3 2 -1000000011 -3.0984147127856E+003 1.000000 A2 4 2 -1000000022 3.0984147127856E+003 -1.000000 B1 5 2 -1000000033 3.0984147127856E+003 -1.000000 B2 6 2 -1000000044 -1.5492073563928E+003 0.500000 E1+1 7 2 -11000000055 -2.6833058527323E+003 0.866025 E1-1 8 2 -1000000066 1.5492073563928E+003 -0.500000 E2+1 9 2 -11000000077 -2.6833058527323E+003 0.866025 E2-1 A1 A2 B1 B2 E1+1 E1-1 E2+1 E2-1 cost cosa cosa –cosa –cosa cosacos(p/3)+sinasin(p/3) cosacos(2p/3)+sinasin(2p/3) = a +  ()

Fitting results for CH3NH2 A data set of 2800 transitions was constructed (~900 lines from the present study)) 60 parameters fitted to 2500 transitions (300 lines rejected) Reduced RMS = 1.5 Microwave RMS = 0.231 MHz IR RMS = 0.00082 cm-1 Rejected lines are all from DK = ±1 transitions with K′ or K″=1 Observed-calculated values range from 0.5 – 1 MHz

Observed vs. calculated CH3NH2 spectrum J′=24, K′=5 J″=23, K″=5 Nuclear spin weights: A1:A2:B1:B2:E1+1:E1-1:E2+1:E2-1 4 : 4 :12 :12: 6 : 6 : 2 : 2 1062370 1062450

Acknowledgements Herbert Pickett NASA Postdoctoral Program (ORAU) NASA Astrophysics Research and Analysis Program (APRA) Jet Propulsion Laboratory California Institute of Technology Pasadena, California www.nasa.gov National Aeronautics and Space Administration