THz Spectroscopy of 1d-ethane: Assignment of v 18 ADAM M. DALY, BRIAN J. DROUIN, LINDA BROWN Jet Propulsion Laboratory, California Institute of Technology,

Slides:

Advertisements

Similar presentations

+ TERAHERTZ SPECROSCOPY OF METHYLAMINE R. A. Motiyenko, L. Margulès Laboratoire PhLAM, Université Lille 1, France V.V. Ilyushin, E.A. Alekseev Insitute.

Advertisements

A fitting program for molecules with two equivalent methyl tops and C 2v point-group symmetry at equilibrium: Application to existing microwave, millimeter,

1 THz vibration-rotation-tunneling (VRT) spectroscopy of the water (D 2 O) 3 trimer : --- the 2.94THz torsional band L. K. Takahashi, W. Lin, E. Lee, F.

Submillimeter-wave and far-infrared spectroscopy of high-J transitions of ammonia S. Yu, J.C. Pearson, B.J. Drouin and K. Sung Jet Propulsion Laboratory,

The Submillimeter Absorption Spectrum of Glycolaldehyde from 500 GHz to 1THz Brandon Carroll 1 Brian Drouin 2 Susanna Widicus Weaver 1 June 22,

June 23rdJPL Spectral Line Catalog Brian J. Drouin, Herbert M. Pickett.

PRESSURE BROADENING AND SHIFT COEFFICIENTS FOR THE BAND OF 12 C 16 O 2 NEAR 6348 cm -1 D. CHRIS BENNER and V MALATHY DEVI Department of Physics,

Submillimeter-wave Spectroscopy of 13 C 1 -Methyl formate [H 13 COOCH 3 ] in the Ground State Atsuko Maeda, Ivan Medvedev, Eric Herbst, Frank C. De Lucia,

VI-4 JPL Catalog Upgrades: New Tools, New Formats and New Interfaces BRIAN J. DROUIN, SHANSHAN YU, JOHN C. PEARSON, Jet Propulsion Laboratory, California.

Submillimeter-wave Spectroscopy of [HCOOCH 3 ] and [H 13 COOCH 3 ] in the Torsional Excited States Atsuko Maeda, Frank C. De Lucia, and Eric Herbst Department.

Room-Temperature Chirped-Pulse Microwave Spectrum of 2-Methylfuran

Rotationally Resolved Diode Laser Jet Spectroscopy of Propadienone (CH 2 CCO) in the 3 Band Region P. J. O’Sullivan, R. J. Livingstone, Z. Lui, P. B. Davies.

Molecular Spectroscopy Symposium June 2011 ROTATIONAL SPECTROSCOPY OF HD 18 O John C. Pearson, Shanshan Yu, Harshal Gupta, and Brian J. Drouin,

TB06 TB06 PRECISION FREQUENCY MEASUREMENT OF N 2 O TRANSITIONS NEAR 4.5  m AND ABOVE 150  m WEI-JO TING, CHUN-HUNG CHANG, SHIH-EN CHEN, HSUAN CHEN CHEN,

Terahertz spectroscopy of excited water Shanshan Yu, John Pearson, Brian Drouin Jet Propulsion Laboratory, California Institute of Technology, USA Adam.

Strategies for Complex Mixture Analysis in Broadband Microwave Spectroscopy Amanda L. Steber, Justin L. Neill, Matt T. Muckle, and Brooks H. Pate Department.

The inversion motion in the Ne – NH 3 van der Waals dimer studied via microwave spectroscopy Laura E. Downie, Julie M. Michaud and Wolfgang Jäger Department.

High Precision Mid-Infrared Spectroscopy of 12 C 16 O 2 : Progress Report Speaker: Wei-Jo Ting Department of Physics National Tsing Hua University

Molecular Spectroscopy Symposium June 2009 The Submillimeter Spectrum of the Ground Torsional State of CH 2 DOH J.C. PEARSON, C.S. BRAUER, S.

The ground state rotational spectrum of methanol Rogier Braakman Chemistry & Chemical Engineering California Institute of Technology John C. Pearson Brian.

Gas Phase Conformational Distributions

Millimeter Wave Spectrum of Iso-Propanol A. MAEDA, I. MEDVEDEV, E. HERBST and F. C. DE LUCIA Department of Physics, The Ohio State University.

1 Fourier transform microwave and infrared study of silacyclobutane Cody van Dijk, Samantha van Nest, Ziqiu Chen and Jennifer van Wijngaarden Department.

Molecular Spectroscopy Symposium June 2011 TERAHERTZ SPECTROSCOPY OF HIGH K METHANOL TRANSITIONS John C. Pearson, Shanshan Yu, Harshal Gupta,

“Global Fit” of the high resolution infrared data of D 2 S and HDS molecules O. N. Ulenikov, E. S. Bekhtereva Physical Chemistry, ETH-Zurich, CH-8093 Zurich,

Rotationally-Resolved Spectra of 2-methylfuran from the cm-wave to the far IR Steven T. Shipman, Ian A. Finneran, Susanna L. Widicus Weaver, and Jennifer.

1 TORSION-ROTATION-VIBRATION EFFECTS IN THE v 20, 2 v 21, 2 v 13 AND v 21 + v 13 STATES OF CH 3 CH 2 CN Adam M. Daly, John C. Pearson, Shanshan Yu, Brian.

Molecular Spectroscopy Symposium June 2013 Modeling the Spectrum of the 2 2 and 4 States of Ammonia to Experimental Accuracy John C. Pearson.

Perturbations and vibrational energies in acrylonitrile from global analysis of its mm-wave to THz rotational spectrum Zbigniew Kisiel, a Lech Pszczółkowski,

TA05 THE ROTATIONAL SPECTRA OF O-17 SUBSTITUTED OXYGEN SINGLET DELTA BRIAN J. DROUIN, HARSHAL GUPTA, SHANSHAN YU, CHARLES E. MILLER, Jet Propulsion Laboratory,

BRIAN J. DROUIN, VIVIENNE PAYNE, FABIANO OYAFUSO, KEEYOON SUNG, Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr., Pasadena,

LOW TEMPERATURE LINESHAPE OF HYDROGEN DEUTERIDE TF14 BRIAN J. DROUIN, HARSHAL GUPTA, JOHN C. PEARSON, Jet Propulsion Laboratory, California Institute of.

A COMPREHENSIVE INTENSITY STUDY OF THE 4 TORSIONAL BAND OF ETHANE J. NOROOZ OLIAEE, N. Moazzen-Ahmadi Institute for Quantum Science and Technology Department.

Bri Gordon Steven T. Shipman New College of Florida

1 The rotational spectrum of 13 CH 3 NH 2 up to 1 THz Roman A. Motiyenko, Laurent Margulès PhLAM, Université Lille 1 Vadim Ilyushin Institute of Radio.

Preliminary modeling of CH 3 D from 4000 to 4550 cm -1 A.V. Nikitin 1, L. R. Brown 2, K. Sung 2, M. Rey 3, Vl. G. Tyuterev 3, M. A. H. Smith 4, and A.W.

Molecular Spectroscopy Symposium June 2013 Identification and Assignment of the First Excited Torsional State of CH 2 DOH Within the o 2, e.

Copyright All rights reserved. June 25, 2015ISMS, 2015

Molecular Spectroscopy Symposium June 2010 Can the Inversion-Vibration-Rotation Problem in the 4 and 2 2 States of NH 3 be solved to Experimental.

RF11 THE JPL MILLIMETER AND SUBMILLIMETER SPECTRAL LINE CATALOG BRIAN J. DROUIN, SHANSHAN YU, JOHN C. PEARSON, Jet Propulsion Laboratory, California Institute.

The rotational spectrum of acrylonitrile to 1.67 THz Zbigniew Kisiel, Lech Pszczółkowski Institute of Physics, Polish Academy of Sciences Brian J. Drouin,

Line Positions and Intensities for the ν 12 Band of 13 C 12 CH 6 V. Malathy Devi 1, D. Chris Benner 1, Keeyoon Sung 2, Timothy J. Crawford 2, Arlan W.

FTS Studies Of The Isotopologues Of CO 2 Toward Creating A Complete And Highly Accurate Reference Standard Ben Elliott, Keeyoon Sung, Charles Miller JPL,

Torsional Splitting in the Rotational Spectrum from 8 to 650 GHz of the Ground State of 1,1-Difluoroacetone L. Margulès, R. A. Motiyenko, Université de.

A b Submillimeter measurements of the Criegee intermediate CH 2 OO, in the gas phase ADAM M. DALY, BRIAN J. DROUIN, SHANSHAN YU Jet Propulsion Laboratory,

Update of the analysis of the pure rotational spectrum of excited vibrational states of CH 3 CH 2 CN Adam Daly, John Pearson, Shanshan Yu, Brian Drouin.

1 The r 0 Structural Parameters of Equatorial Bromocyclobutane, Conformational Stability from Temperature Dependent Infrared Spectra of Xenon Solutions,

1 70 th Symp. Mol. Spectrosc MJ14 13 CH 4 in the Octad Measurement and modeling of cold 13 CH 4 spectra from 2.1 to 2.7 µm Linda R. Brown 1, Andrei.

June 18, nd Symp. on Molec. Spectrosc. Activation of C-H Bonds: Pure Rotational Spectroscopy of HZnCH 3 ( 1 A 1 ) M. A. Flory A. J. Apponi and.

International Symposium on Molecular Spectroscopy, June 22-26, First high-resolution analysis of the ν 21 band of propane at cm -1 : Evidence.

Spectroscopy of the ground, first and second excited torsional states of acetaldehyde from 0.05 to 1.6 THz. Ivan Smirnov a, Eugene Alekseev a, Vadim Ilyushin.

22 June st International Symposium on Molecular SpectroscopyPetkie – RE07-p1 The Rotational Spectrum of H 15 NO 3 : All States Below 1000 cm -1.

Additional Measurements and Analyses of H 2 17 O and H 2 18 O June 22-25, 2015 ISMS John. C. Pearson, Shanshan Yu, Adam Daly Jet Propulsion Laboratory,

Millimeter-wave Rotational Spectrum of Deuterated Nitric Acid Rebecca A.H. Butler, Camren Coplan, Department of Physics, Pittsburg State University Doug.

SESAPS Terahertz Rotational Spectrum of the v5/2v9 Dyad of Nitric Acid * Paul Helminger, a Douglas T. Petkie, b Ivan Medvedev, b and Frank C. De.

Jun 18th rd International Symposium on Molecular Spectroscopy Microwave spectroscopy o ｆ trans-ethyl methyl ether in the torsionally excited state.

Analysis of the rotation-torsion spectrum of CH 2 DOH within the e 0, e 1, and o 1 torsional levels L. H. Coudert, a John C. Pearson, b Shanshan Yu, b.

Global Modelling of the First Three Torsional States of Methanol ( v t = 0, 1, 2, J max = 30): (CH 3 OH & CH 3 18 OH) Jonathan Fisher, Gregory Paciga,

Microwave Spectroscopy of the Excited Vibrational States of Methanol John Pearson, Adam Daly, Jet Propulsion Laboratory, California Institute of Technology,

THE ANALYSIS OF 2ν3 BAND OF HTO

V. Ilyushin1, I. Armieieva1, O. Zakharenko2, H. S. P. Müller2, F

THE TORSIONAL FUNDAMENTAL BAND AND ROTATIONAL SPECTRA UP TO 940 GHZ OF THE GROUND, FIRST AND SECOND EXCITED TORSIONAL STATES OF ACETONE V.V. Ilyushin1,

NH3 measurements in the far-IR

Acetaldehyde: Into the Submillimeter

The n17 band of C2H5D from cm-1

Vibrational energies for acrylonitrile from

Terahertz spectroscopy of the ground state of methylamine (CH3NH2)

Analysis of torsional splitting in the ν8 band of propane near 870

A. M. Daly, B. J. Drouin, J. C. Pearson, K. Sung, L. R. Brown

The torsional spectrum of doubly deuterated methanol CHD2OH

Presentation transcript:

THz Spectroscopy of 1d-ethane: Assignment of v 18 ADAM M. DALY, BRIAN J. DROUIN, LINDA BROWN Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr., Pasadena, CA PETER GRONER Department of chemistry, University of Missouri, Kansas City, MO. 18-Jun14 ISMS FE07

Motivation 18-Jun14ISMS FE07 A window in the ethane spectrum? Avoiding q-branch ethane Astronomy

Motivation 18-Jun14ISMS FE07 Assign v 11 = 715 cm -1 and v 17 = 805 cm -1 in C 2 H 5 D and fit transitions to within the resolution of the measurement Data taken with the Bruker 125 HR with 20.8 m path length. Resolution cm -1 Temperature = 130 K Spectroscopy v 11 = 715 cm -1 v 17 = 805 cm -1 4v 18 = 726 cm -1 ?

18-Jun14ISMS FE07 Motivation v 11 = 715 cm -1 (A’) and v 17 =805 cm -1 (A”) Dark state, 3 v 18 at 726 cm -1 (A”)

Motivation 18-Jun14ISMS FE07 Spectroscopy Assign v 11 = 715 and v 17 = 805 in C 2 H 5 D and fit transitions to within the resolution of the measurement Data taken with the Bruker 125 HR with 20.8 m path length. Resolution cm -1 Temperature = 130 K v 11 = 715v 17 = 805

Motivation 18-Jun14ISMS FE07 v 17 = 715 in C 2 H 5 D High K c R-branch v 11 = 715 Q-branch K a upper and Lower zero Spectroscopy J 1,J-1 ← J 0,J J 0,J ← J 1,J-1

Motivation 18-Jun14ISMS FE07 Spectroscopy A E A E A E A E A E A E A E J 1,J-1 <- J 0,J ,2 <- 2 0,1 J= 6 1,6 <- 5 2,3 v 11 = 715 Q-branch K a lower zero

Motivation 18-Jun14ISMS FE07 Spectroscopy v 11 = 715v 17 = 805

Motivation 18-Jun14ISMS FE07 Spectroscopy 4←35←46←57←68←79←8K a ”←K a ’ v 17 = 805 Q-branch K a -> K a+1

Motivation 18-Jun14ISMS FE07 Clearly split by internal rotation Spectroscopy 15 2,13 ←14 1, ,15 ←15 0,15 v 17 = 805 Q-branch K a = 7 ← K a = J

Background 18-Jun14ISMS FE07 D H H H H H Microwave spectra of deuterated ethanes: Internal rotation potential function and r z structure E. Hirota, Y. Endo, S. Saito, J.L. Duncan, J. Mol. Spectrosc. 89 (1981) 285–295. Pure a-dipole 12 pairs A/E 2 R-branch (J=3 and 4) b-dipole 15 pairs A/E that 2 R-branch (J=2 and 3) and 13 Q-branch (K a 2<- 1) TB03 OSU Conference 2013 BRIAN J. DROUIN, SHANSHAN YU, JOHN C. PEARSON, LINDA R. BROWN, KEEYOON SUNG, Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr., Pasadena, CA 91109; PETER GRONER, Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO The data set contains two Q-branch measurements (K = 5-6 and K = 9,10, the first with J up to 30) and a smattering of R-branch measurements up to J = 28 and K’s in the teens. There are 475 unique assignments, but many of these are for blended features.

Methods 18-Jun14ISMS FE07 Ground state results

18-Jun14ISMS FE07 Experimental Setups , , GHz, 6 meter path, 1.2 K Silicon Bolometer, Static cell with amorphous quartz windows Multiplier Inlet Port Vacuum Port Glass Cell 3m Rooftop Reflector Bolometer Polarized Grid Stanford Research Lock-in Amplifier Preamp Ghz Synthesizer GPIB

18-Jun14ISMS FE07 Initial scans

18-Jun14ISMS FE07 Initial scans

18-Jun14ISMS FE07 Initial scans

18-Jun14ISMS FE07 Initial scans

18-Jun14ISMS FE07 Initial Scans

18-Jun14ISMS FE07 Initial Scans

18-Jun14 ISMS FE07 ERHAMSPFIT Pure Rotation A /MHz (10) (17) B /MHz (20) (21) C /MHz (20) (19) D J /kHz (24) (10) D JK /kHz68.538(33)68.469(46) D K /kHz241.69(12)241.35(28) d 1 /kHz (67) (81) d 2 /kHz (55) (46) H J /Hz (28)- H JK /Hz0.175(30)0.158(27) H KJ /Hz1.53(25)0.31(28) H K /Hz--8.76(134) Tunneling termsERHAM SPFIT  10 /MHz (22) (24)  20 /MHz 0.471(16)1.509(58)  (81)[ ]  / deg 0.873(75) (76)-640.2(85) 45.3(64)-21.99(94) -30.9(31) (51) 0.569(46)-33.4(16) -1.48(37)- 2.83(19) (19) (36) (37) (21).305(34)0.286(81) --58(20) (49) (27) (57)0.080(31) -7.5(35) (27) (26) -- D ab / kHz1693.(202)- Final fit of v 18 TORSIONAL ENERGY DIFFERENCES (MHz) v18 (A-E) = / v18 fit State 00: 163 lines MICROWAVE RMS = RMS ERROR = State 10: 164 lines MICROWAVE RMS = RMS ERROR =

18-Jun14 ISMS FE07 ERHAMSPFIT Pure Rotation A /MHz (10) (17) B /MHz (20) (21) C /MHz (20) (19) D J /kHz (24) (10) D JK /kHz68.538(33)68.469(46) D K /kHz241.69(12)241.35(28) d 1 /kHz (67) (81) d 2 /kHz (55) (46) H J /Hz (28)- H JK /Hz0.175(30)0.158(27) H KJ /Hz1.53(25)0.31(28) H K /Hz--8.76(134) Tunneling termsERHAM SPFIT  10 /MHz (22) (24)  20 /MHz 0.471(16)1.509(58)  (81)[ ]  / deg 0.873(75) (76)-640.2(85) 45.3(64)-21.99(94) -30.9(31) (51) 0.569(46)-33.4(16) -1.48(37)- 2.83(19) (19) (36) (37) (21).305(34)0.286(81) --58(20) (49) (27) (57)0.080(31) -7.5(35) (27) (26) -- D ab / kHz1693.(202)- Final fit of v 18 Ground state State 00: 298 lines MICROWAVE RMS = RMS ERROR = State 10: 469 lines MICROWAVE RMS = RMS ERROR = TORSIONAL ENERGY DIFFERENCES (MHz) ground state (A-E) = / MHz v18 (A-E) / MHz v18 fit State 00: 163 lines MICROWAVE RMS = RMS ERROR = State 10: 164 lines MICROWAVE RMS = RMS ERROR =

18-Jun14ISMS FE07 Using the ground state, v 18 and Raman data E. Hirota, Y. Endo, S. Saito, J.L. Duncan, Microwave spectra of deuterated ethanes: Internal rotation potential function and rz structure, J. Mol. Spectrosc. 89 (1981) 285–295. doi: / (81) J,M. Fernandez and S. Montero, J. Chem. Phys. 94, 7788 (1991)

Potential Fit 18-Jun14ISMS FE07

Conclusions: Future directions from TB03 (2013) 18-Jun14ISMS FE07 Retrieved positions and intensities up to 860 cm -1 (done) – Challenging spectrum 9000 features cm -1 Complete assignments IR spectrum in cm -1 range to v 11, v 17 and perhaps 3vt (overtone) (in progress) Develop Effective Hamiltonian and model observed positions and intensities (in progress) Create a linelist to enable the first detection of this species in outer planets. (in progress)

18-Jun14ISMS FE07 Acknowledgements Brian Drouin Linda Brown John Pearson Peter Groner