Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: low-lying states v8  2 of methyl.

Slides:

Advertisements

Similar presentations

High sensitivity CRDS of the a 1 ∆ g ←X 3 Σ − g band of oxygen near 1.27 μm: magnetic dipole and electric quadrupole transitions in different bands of.

Advertisements

Toward a global model of low-lying vibrational states of methyl cyanide, CH 3 CN: the v 4 = 1 state at 920 cm –1 and its interactions with nearby states.

Rotational spectroscopy of thioformaldehyde, H 2 CS, in its four lowest excited vibrational, Coriolis-coupled states Holger S. P. Müller, C. P. Endres,

Infrared spectroscopy Keywords: infrared, radiation, absorption, spectroscopy.

Recent Developments in the Cologne Database for Molecular Spectroscopy, CDMS, and the Need for Further Laboratory Spectroscopy Ninth Biennial HITRAN Conference,

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,

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.

Fourier transform infrared spectroscopy[FTIR]

High-J rotational lines of HCO + and its isotopologues measured by using Evenson-type tunable FIR spectrometer R. Oishi, T. Miyamoto, M. Suzuki, Y. Moriwaki,

Laboratory characterization and astrophysical detection in Orion KL of higher excited states of vinyl cyanide Alicia Lopez, a Belen Tercero, a Jose Cernicharo,

Columbus 2005, 20/6/ /6/05 ANALYSIS OF THE 3 / 7 / 9 BENDING TRIAD OF THE QUASI-SPHERICAL TOP MOLECULE SO 2 F 2 M. Rotger, V. Boudon, M. Lo ë te,

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

High Resolution Measurements and Electronic Structure Calculations of a Diazanaphthalene: [1,6]-naphthyridine. Sébastien Gruet, Manuel Goubet, Olivier.

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

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

Millimeter- Wave Spectroscopy of Hydrazoic acid (HN 3 ) Brent K. Amberger, Brian J. Esselman, R. Claude Woods, Robert J. McMahon University of Wisconsin.

“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,

Fang Wang & Timothy C. Steimle Dept. Chem. & BioChem., Arizona State University, Tempe, AZ,USA The 65 th International Symposium on Molecular Spectroscopy,

Synchrotron-Based High Resolution Spectroscopy of N-Bearing PAHs Sébastien Gruet, Olivier Pirali, Manuel Goubet and P. Bréchignac ISMS /06/2014.

Friday, June 21, th OSU SYMPOSIUM MOLECULAR SPECTROSCOPY FB06: Cuisset & al Gas phase rovibrational spectroscopy of DMSO, Part II: « Towards a THz.

GLOBAL FIT ANALYSIS OF THE FOUR LOWEST VIBRATIONAL STATES OF ETHANE: THE 12  9 BAND L. Borvayeh and N. Moazzen-Ahmadi Department of Physics and Astronomy.

Pressure-broadening of water lines in the THz frequency region: improvements and confirmations for spectroscopic databases G. Cazzoli, C. Puzzarini Dipartimento.

June 16-20, rd International Symposium on Molecular Spectroscopy Direct Measurements of the Fundamental Rotational Transitions of CD and 13 CH.

Atusko Maeda, Ivan Medvedev, Eric Herbst,

A LABORATORY AND THEORETICAL INVESTIGATION OF THE SILICON SULFUR MOLECULES H 2 SiS AND Si 2 S. MICHAEL C. MCCARTHY 1, PATRICK THADDEUS 1, HARSHAL GUPTA.

HIGH RESOLUTION SPECTROSCOPY OF THE TWO LOWEST VIBRATIONAL STATES OF QUINOLINE C 9 H 7 N O. PIRALI, Z. KISIEL, M. GOUBET, S. GRUET, M.-A. MARTIN-DRUMEL,

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

CH 3 D Near Infrared Cavity Ring-down Spectrum Reanalysis and IR-IR Double Resonance S. Luna Yang George Y. Schwartz Kevin K. Lehmann University of Virginia.

T HE C OMPLETE, T EMPERATURE R ESOLVED E XPERIMENTAL S PECTRUM OF M ETHANOL B ETWEEN 560 AND 654 GH Z Sarah M. Fortman, Christopher F. Neese, and Frank.

Chapter 14 The Interstellar Medium. All of the material other than stars, planets, and degenerate objects Composed of gas and dust ~1% of the mass of.

Exploring Molecular Complexity with ALMA (EMoCA): High-Angular-Resolution Observations of Sagittarius B2(N) at 3 mm Holger S. P. Müller A. Belloche (PI),

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

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

Laboratory of Millimetre-wave Spectroscopy of Bologna LABORATORY MEASUREMENTS in SUPPORT of ASTRONOMICAL OBSERVATIONS: ROTATIONAL SPECTROSCOPY up to the.

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.

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

José Luis Doménech, RD08 70th International Symposium on Molecular Spectroscopy Urbana Champaign, June 22-26,2015 NEW ACCURATE WAVENUMBERS OF H 35 Cl +

Terahertz spectroscopy of deuterated methylene bi-radicals, CHD and CD 2 Stéphane Bailleux June 25, 2015 – 70 th ISMS.

Lecture 3 Mass Spectrometry and Infrared Spectroscopy.

1 HIGH-RESOLUTION LASER SPECTROSCOPY OF A 3  1u  X 1  g + SYSTEM OF Br 2 N.NISHIMIYA, T.YUKIYA, and M.SUZUKI Tokyo Polytechnic University Kanagawa,

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.

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

MILLIMETRE-WAVE SPECTRUM OF ISOTOPOLOGUES OF ETHANOL FOR RADIO-ASTRONOMY Adam Walters, IRAP, Université de Toulouse, UPS-OMP-CNRS, France. Mirko Schäfer,

Max Planck Institute for the Structure and Dynamics of Matter

ANH T. LE, GREGORY HALL, TREVOR SEARSa Division of Chemistry

GBT Spectroscopy and Astrochemisty – the GBT PRIMOS Program

The microwave spectroscopy of HCOO13CH3 in the second excited state

The microwave spectroscopy of ground state CD3SH

Weeding the Astrophysical Garden Using Complete Experimental Spectra

INFRARED SPECTROSCOPY OF DISILICON-CARBIDE, Si2C

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

The Near-IR Spectrum of CH3D

A Green Bank Telescope Search for ortho-benzyne (o-C6H4) in CRL 618

Shanshan Yu, Brian J. Drouin, John C. Pearson, and Takayoshi Amano

H. S. P. Müller, N. Wehres, O. H. Wilkins, F. Lewen, S. Schlemmer,

Acetaldehyde: Into the Submillimeter

An Analysis of the Rotation Spectrum of Acetonitrile (CH3CN) in Excited Vibrational States Christopher F. Neese, James McMillian, Sarah Fortman, Frank.

Takahiro Oyama, Rin Abe, Ayane Miyazaki,

Department of Chemistry, University of Wisconsin, Madison

HIGH RESOLUTION INFRARED SPECTRA OF TRIACETYLENE*

The Rotational Spectrum of cis- and trans-HSSOH

Ubiquitous Argonium, ArH+, in the Interstellar Medium

62nd OSU International Symposium on Molecular Spectroscopy WG10

Lowest vibrational states of acrylonitrile

CHONG TAO, D. BRUSSE, Y. MISHCHENKO, C. MUKARAKATE and S. A. REID,

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

Fourier Transform Infrared Spectral

COMPREHENSIVE ANALYSIS OF INTERSTELLAR

Holger S. P. Müller, J. C. Pearson, S. Brünken, S. Yu,

Presentation transcript:

Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: low-lying states v8  2 of methyl cyanide Holger S. P. Müller, M. Ordu, F. Lewen, L. R. Brown, B. J. Drouin, J. C. Pearson, K. Sung, I. Kleiner, R. L. Sams 70th ISMS, Urbana-Champaign, IL, 22 – 26 June 2015, FB04

Motivation important molecule in ISM, especially hot cores, and CSE − many isotopic species detected (including CH2DCN, 13CH313CN) − transitions of vibrationally excited states detected (up to v4 = 1) − v8 transitions detected for 13C species − used as temperature probe − considered to be a weed species interaction between polyads known e.g. for propyne, CH3CCH, prominent: Δv10 = ±1, ΔK = 0, Δl = ±3

Previous and Present Work v = 0: Cazzoli & Puzzarini, JMSp 240 (2006) 153 (with hfs; + ref.) + Müller et al., A&A 506 (2009) 1487 (Σ 196 lines retained) JPL & U Köln: 120 new or rem. lines 5 × ΔK = 3 (R. Antilla, JMSp 157 (1993) 198) v8 = 1, 2: R. Bocquet et al., JMSp 127 (1988) 178 + ref. (95 + 51 lines retained) JPL & U Köln , 1028 + ~ 1218 new or rem. lines ν8: M. Koivusaari et al., JMSp 152 (1992) 377; 1697 lines; unc.:  0.00020 cm−1 PNNL spectrum not as good 2ν8: PNNL, p = 40 Pa, l = 19 m, res.: 0.0016 cm−1 1172 incl. 237 with l = ±2; unc.:  0.00020 cm−1 ν4, ν7, 3ν8: parameters from A. M. Tolonen et al., JMSp 160 (1993) 198

Present Rotational Spectroscopy of CH3CN measurements at JPL: much of 400 − 1200, ~1600 GHz typical unc.: 50 kHz (10 – 200 kHz) measurements at U Köln: ~37, 55, 74 GHz, parts of 1330 – 1501 GHz typical unc.: 10 /30 kHz

The 28 Band of CH3CN

Detail of the 28 Band

Low-Lying Vibrational States of CH3CN 1200 800 400 E / cm−1 v8 = 4 v8 = 3 v8 = 2 v8 = 1 v = 0 v4 = 1 v4 = v8 = 1 v7 = 1 v7 = v8 = 1 v3 = 1 v6 = 1

K Level Structure of v = 0 and v8 = 1 400 800 1200 E / cm−1 5 10 15 v8 = 1 l = +1 l = −1 Aζ q22 5 10 15 14 12 v = 0

Interaction between v = 0, K = 14 and v8 = 1+1, K = 12

Purely K-dependent Parameters1 (MHZ) of v = 0 and v8 = 1  Herb Pickett’s SPFIT/SPCAT was used H. S. P. Müller et al., JMSp 312 (2015) 22

Interactions between v8 = 1 and v8 = 2 Detail of the K Level Structure 1000 1250 1500 1750 E / cm−1 10 l = 0 15 l = +1 l = −1 15 l = −2 10 10 15 l = +2 14 15 13 11 13

Reduced Energy Diagram K = 14, v8 = 1−1 & v8 = 2+2 K = 13, v8 = 1−1 & K = 11, v8 = 20 K = 15, v8 = 1+1 & K = 13, v8 = 2+2

Fortrat Diagram K = 13, v8 = 1−1 K = 11, v8 = 20 K = 15, v8 = 1+1

Interaction Parameters (MHz) between v8  2

IR Simulations (8) and Intensities 0.5 1 n 8 +1 –1 320 340 360 380 400 wavenumber (cm ) Transmittance 2 – +2 –2 ±1 Intensities (10–19 cm/molecule) 8 region: 2.285 (1.77 (4), 1.81, 2.79 (28), ) 28 region: 2.580 (2.50 (4), 3.43, , 2.63 (18))