1 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution.

Slides:

Advertisements

Similar presentations

1 60th International Symposium on Molecular Spectroscopy, Talk RG04, 23 June 2005, Ohio State University, Columbus, OH Approved for Public Release; Distribution.

Advertisements

H-atom Reaction Kinetics in Solid Parahydrogen Followed by Rapid Scan FTIR David T. Anderson Department of Chemistry, University of Wyoming Laramie, WY.

RI05: FTIR STUDIES OF THE PHOTOCHEMISTRY OF DEUTERATED FORMIC ACID IN A PARAHYDROGEN MATRIX David T. Anderson Department of Chemistry, University of Wyoming.

Rovibronic Analysis of the State of the NO 3 Radical Henry Tran, Terrance J. Codd, Dmitry Melnik, Mourad Roudjane, and Terry A. Miller Laser Spectroscopy.

High resolution studies of the 3 band of methyl fluoride in solid para-H 2 using a quantum cascade laser A.R.W. McKellar *, Asao Mizoguchi, Hideto Kanamori.

1 60th International Symposium on Molecular Spectroscopy, Talk RG03, 23 June 2005, Ohio State University, Columbus, OH Approved for Public Release; Distribution.

Adiabatic-hindered-rotor treatment of parahydrogen-water complex Tao Zeng, Hui Li, Robert J. Le Roy, and Pierre-Nicholas, Roy Department of Chemistry,

Conformational Analysis of R-(+)-3-Methylcyclopentanone by IR Spectroscopy in Para-Hydrogen Crystal Watheq Al-Basheer 1,2, Shin Y. Toh 2, Jun Miyazaki.

Laboratory of Molecular Spectroscopy & Nano Materials, Pusan National University, Republic of Korea Spectroscopic Identification of New Aromatic Molecular.

Infrared Intensity and Spectra of N 2 -H 2 O, O 2 -H 2 O and Ar-H 2 O in He Droplets Susumu Kuma a), Mikhail N. Slipchenko b), Kirill E. Kuyanov b), Takamasa.

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.

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

INFRARED-ACTIVE VIBRON BANDS ASSOCIATED WITH RARE GAS SUBSTITUTIONAL IMPURITIES IN SOLID HYDROGEN PAUL L. RASTON and DAVID T. ANDERSON, Department of Chemistry,

Spectroscopy of NCNCS at the Canadian Light Source: the far-infrared spectrum of the ν 7 region from cm -1 (and beyond…) Dennis W. Tokaryk, Stephen.

Microwave Spectrum of Hydrogen Bonded Hexafluoroisopropanol  water Complex Abhishek Shahi Prof. E. Arunan Group Department of Inorganic and Physical.

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

Investigation of the Amide I Band of N-Methylacetamide in Solid Parahydrogen using FTIR Spectroscopy Leif O. Paulson and David T. Anderson Department of.

Dynamics in Solid Hydrogen below 4 K David T. Anderson Department of Chemistry, University of Wyoming Laramie, WY th International.

Rotational Spectra and Structure of Phenylacetylene-Water Complex and Phenylacetylene-H 2 S (preliminary) Mausumi Goswami, L. Narasimhan, S. T. Manju and.

Electronic Spectroscopy of Palladium Dimer (Pd 2 ) 68th OSU International Symposium on Molecular Spectroscopy Yue Qian, Y. W. Ng and A. S-C. Cheung Department.

1 Infrared Spectroscopy of Ammonium Ion MG03: Sub-Doppler Spectroscopy of ND 3 H + Ions in the NH Stretch Mode MG04: Infrared Spectroscopy of Jet-cooled.

Probing the Dependence of the H 2 /D 2 + ICl/I 2 Entrance Channel Interactions on Intermolecular Orientation Joshua P. Darr, Andrew C. Crowther, and Richard.

1 STRUCTURE OF COLD, MIXED PARA-H 2 /D 2 CLUSTERS Russell Sliter & Andrey Vilesov University of Southern California Department of Chemistry OSU International.

Electronic Spectroscopy of DHPH Revisited: Potential Energy Surfaces along Different Low Frequency Coordinates Leonardo Alvarez-Valtierra and David W.

Laboratory of Molecular Spectroscopy, Pusan National University, Pusan, Republic of Korea Spectroscopic identification of isomeric trimethylbenzyl radicals.

STRUCTURES OF TWO ISOMERS OF NITROUS OXIDE TETRAMER FROM THEIR INFRARED SPECTRA J. Norooz Oliaee, F. Mivehvar, M. Dehghany, N. Moazzen-Ahmadi Department.

Rotationally-Resolved Spectroscopy of the Bending Modes of Deuterated Water Dimer JACOB T. STEWART AND BENJAMIN J. MCCALL DEPARTMENT OF CHEMISTRY, UNIVERSITY.

1 61st International Symposium on Molecular Spectroscopy, Talk RI03, 22 June 2006, Ohio State University, Columbus, OH Approved for Public Release; Distribution.

Mike Lindsay * and Roger Miller University of North Carolina at Chapel Hill OSU International Symposium on Molecular Spectroscopy, TI02, 6/22/2006 * Current.

HIGH RESOLUTION JET COOLED CAVITY RINGDOWN SPECTROSCOPY OF THE A STATE BAND OF THE NO 3 RADICAL Terrance J. Codd, Mourad Roudjane and Terry A. Miller.

DMITRY G. MELNIK AND TERRY A. MILLER The Ohio State University, Dept. of Chemistry, Laser Spectroscopy Facility, 120 W. 18th Avenue, Columbus, Ohio

Effective C 2v Symmetry in the Dimethyl Ether–Acetylene Dimer Sean A. Peebles, Josh J. Newby, Michal M. Serafin, and Rebecca A. Peebles Department of Chemistry,

The A ← X ABSORPTION SPECTRUM OF 2-NITROOXYBUTYL PEROXY RADICAL

Study of the CH 2 I + O 2 Reaction with a Step-scan Fourier-transform Infrared Absorption Spectrometer: Spectra of the Criegee Intermediate CH 2 OO and.

70th ISMS Vibration-Rotation Analysis of the 13 CO 2 Asymmetric Stretch Fundamental Band in Ambient Air for the Physical Chemistry Teaching Laboratory.

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

FIRST HIGH RESOLUTION INFRARED SPECTROSCOPY OF GAS PHASE CYCLOPENTYL RADICAL: STRUCTURAL AND DYNAMICAL INSIGHTS FROM THE LONE CH STRETCH Melanie A. Roberts,

Detecting Hydrogen Atoms in Solid Parahydrogen using FTIR Spectroscopy RD03 - Cold Quantum Systems 1015 McPherson Lab 9:22 am Thursday, June 21,

Chuanxi Duan (段传喜） Central China Normal University Wuhan, China

Tokyo Institute of Technology Hiroyuki Kawasaki, Asao Mizoguchi, Hideto Kanamori High Resolution Infrared Spectroscopy of CH 3 F-(ortho-H 2 ) n cluster.

High resolution far-infrared spectra of thiophosgene with a synchrotron source: The 1, 5, 2 4 and bands A.R.W. McKellar National Research Council.

Expanded Choices for Vibration-Rotation Spectroscopy in the Physical Chemistry Teaching Laboratory Joel R. Schmitz and David A. Dolson Department of Chemistry.

The ethyl radical in superfluid helium nanodroplets: Rovibrational spectroscopy and ab initio calculations 1 Department of Chemistry, University of Georgia.

Anomalous CH Stretch Intensity Effects in Halomethyl Radicals: “Charge-Sloshing” vs. Bond- Dipole Contributions to IR Transition Moments E.S. Whitney,

D. Zhao, K.D. Doney, H. Linnartz Sackler Laboratory for Astrophysics, Leiden Observatory, University of Leiden, the Netherlands T he 3 μm Infrared Spectra.

Tao Peng and Robert J. Le Roy

Infrared Spectra of Anionic Coinage Metal-Water Complexes J. Mathias Weber JILA and Department of Chemistry and Biochemistry University of Colorado at.

The Cyclic CO 2 Trimer: Observation of two parallel bands and determination of intermolecular out-of-plane torsional frequencies Steacie Institute for.

1 61 st International Symposium on Molecular Spectroscopy, Talk RD10, 22 June 2006, The Ohio State University, Columbus, OH Approved for Public Release;

The 70 th International Symposium on Molecular Spectroscopy, TH07, June 23, The 70 th Meeting of International Symposium on Molecular Spectroscopy,

Laser spectroscopy of a halocarbocation: CH 2 I + Chong Tao, Calvin Mukarakate, and Scott A. Reid Department of Chemistry, Marquette University 61 st International.

Fourier Transform Emission Spectroscopy of the G 3  -X 3 , C 3  -X 3  and G 3  -C 3  systems of CoCl R. S. Ram Department of Chemistry, University.

M. Dehghany, M. Afshari, J. N. Oliaee, N. Moazzen-Ahmadi Department of Physics & Astronomy, University of Calgary, Canada A. R. W. MCKELLAR Steacie Institute.

Sub-Doppler Jet-Cooled Infrared Spectroscopy of ND 2 H 2 + and ND 3 H + in NH Stretch Fundamental Modes Astronomical Molecular Spectroscopy in the Age.

High-resolution mid-infrared spectroscopy of deuterated water clusters using a quantum cascade laser- based cavity ringdown spectrometer Jacob T. Stewart.

The Cl+H 2  HCl+H reaction induced by IR+UV irradiation of Cl 2 in solid parahydrogen Sharon C. Kettwich and David T. Anderson Department of Chemistry,

Initial Development of High Precision, High Resolution Ion Beam Spectrometer in the Near- Infrared Michael Porambo, Brian Siller, Andrew Mills, Manori.

Probing Exciton Dynamics in the Frequency Domain Paul L. Raston and David T. Anderson Department of Chemistry, University of Wyoming, Laramie, WY

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

Lineshape analysis of CH3F-(ortho-H2)n absorption spectra in 3000 cm-1 region in solid para-H2 Yuki Miyamoto Graduate School of Natural Science and Technology,

Infrared Spectroscopy of N-Methylacetamide in Solid Parahydrogen

Infrared Spectroscopic Studies of OCS Trapped in Solid Parahydrogen: Indirect Evidence of Large Amplitude Motions Morgan E. Balabanoff and David T. Anderson.

CO2 dimer: Five intermolecular vibrations observed via infrared combination bands Jalal Norooz Oliaee, Mehdi Dehghany, Mojtaba Rezaei, Nasser Moazzen-Ahmadi.

Morgan E. Balabanoff and David T. Anderson

PHOTODISSOCIATION OF FORMIC ACID ISOLATED IN SOLID PARAHYDROGEN Y

60th International Symposium on Molecular Spectroscopy

Jacob T. Stewart and Bradley M

Spin-Rotation Spectroscopy and Dynamics of Hydroxymethyl Radical (H2COH) Chih-Hsuan Chang, Fang Wang, and David J. Nesbitt JILA Illinois Symposium on.

Using IR Spectroscopy to Probe the Temperature Dependence of the H + N2O Reaction in Parahydrogen Crystals Fredrick Mutunga and David T. Anderson Department.

Jay C. Amicangelo, Ian Campbell, and Joshua Wilkins

Presentation transcript:

1 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Mario E. Fajardo, C. Michael Lindsay AFRL/MNME, Energetic Materials Branch, Ordnance Division, U.S. Air Force Research Laboratory, 2306 Perimeter Road, Eglin AFB, FL & David T. Anderson Department of Chemistry, University of Wyoming, Laramie, WY * Gas phase (HCl) 2 – “geared” internal rotation/tunneling. *“Broken-symmetry allowed” transitions in H 35 Cl-H 37 Cl. * High-res IR spectra of (HCl) 2 isotopomers in solid pH 2. * “Tunneling” splittings in H 35 Cl-H 37 Cl/pH 2 (± cm -1 ). * CAVEAT! spectroscopic assignments incomplete, so conclusions in re tunneling still "tentative." HCl Dimer in Solid Parahydrogen Revisited

2 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Gas Phase (HCl) 2 donor ( 2 ) acceptor ( 1 ) (HCl) 2 : nearly prolate symmetric top (  -1.0) donor ( 2 ) mode ||, a-type,  K a =0, acceptor ( 1 ) , b-type,  K a =±1 tunneling interconversion of HCl subunits; "geared" bending;  R ‡ HCl-HCl < 0.004Å

3 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Broken-Symmetry Transitions M.D. Schuder, C.M. Lovejoy, R. Lascola, and D.J. Nesbitt, J. Chem. Phys. 99, 4346 (1993). +  +   15.5 cm cm -1 H 35 Cl-H 35 Cl & H 37 Cl-H 37 Cl rigorous inversion symmetry +  - selection rules +  +   H 35 Cl-H 37 Cl & H 37 Cl-H 35 Cl no inversion symmetry new IR transitions;  12x weaker    

4 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Low-lying (HCl) 2 States M.D. Schuder, C.M. Lovejoy, R. Lascola, and D.J. Nesbitt, J. Chem. Phys. 99, 4346 (1993).

5 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA HCl & (HCl) 2 in solid pH Å gas phase HCl dimer  dimer is nearly perfect fit! pH 2 nearest neighbor spacing B pH2 (HCl)  0.93 B gas (HCl)  monomer is nearly free rotor* 3.8 Å Can A-axis rotation & internal dynamics survive immersion in solid pH 2 environment? * D.T. Anderson, R.J. Hinde, S. Tam and M.E. Fajardo, J. Chem. Phys. 116, 594 (2002).

6 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Rapid vapor deposition of solid pH 2 M.E. Fajardo and S. Tam, J. Chem. Phys. 108, 4237 (1998). S. Tam and M.E. Fajardo, Rev. Sci. Instrum. 70, 1926 (1999). S. Tam and M.E. Fajardo, J. Low Temp. Phys. 122, 345 (2001). Deposition conditions: T conv = 15 K  100 ppm oH 2 T conv = 19 K  1000 ppm oH 2  n pH2 /  t = 200 mmol/hr  x/  t = 3.1 mm/hr T sub = 2.4 K  2.9 K T pH2  4.6 K Result: mixed fcc/hcp microstructure in as-deposited samples; can anneal to pure hcp.

7 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Low Temperature Stick Spectrum M.D. Schuder, C.M. Lovejoy, R. Lascola, and D.J. Nesbitt, J. Chem. Phys. 99, 4346 (1993).

8 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA ppm HCl/pH 2 (annealed) HCl/pH 2 0 =2876 cm -1 * M. Farnik, S. Davis, and D.J. Nesbitt, Faraday Disc. 118, 63 (2001). *

9 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA (HCl) 2 /pH 2

10 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA region (HCl) 2 /pH 2 broken symmetry 2 + ?!  natural abundance 37 Cl enriched 35 Cl enriched

11 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Eglin AFB Experimental Setup

12 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Polarization Dependence *  oH 2 - HCl complex  in-plane (HCl) 2 ||  out-of-plane (HCl) 2

13 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA H 35 Cl-H 37 Cl Tunneling Splittings (?) 2 + K=0  0 gas phasesolid pH 2 gas - pH 2 ip - oop H 35 Cl-H 35 Cl  || H 35 Cl-H 37 Cl  || H 37 Cl-H 37 Cl  || H 35 Cl-H 37 Cl  broken symmetry || v 2 =1 H 35 Cl-H 37 Cl:  E gas = (4) cm -1,  E ip = 2.250(1) cm -1,  E oop = 2.335(1) cm -1

14 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA region (HCl) 2 /pH 2 natural abundance 37 Cl enriched 35 Cl enriched broken symmetry 1 + ?! 

15 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Unassigned Hot Bands

16 62nd Ohio State University International Symposium on Molecular Spectroscopy, Talk TJ06, 19 June 2007, Columbus, OH. Approved for Public Release; Distribution Unlimited. AAC/PA Summary * Observed several rovibrational transitions of (HCl) 2 isotopologes in solid pH 2 ; assignments incomplete. * New polarization measurements show that ubiquitous  0.5 cm -1 splitting in 2 + region arises from in-plane (ip) and out-of-plane (oop) HCl dimers in hcp solid. * Assignment of 2 + region consistent with observation of broken symmetry transition of mixed H 35 Cl-H 37 Cl dimer. * Assignment implies tunneling splittings for v 2 =1 of H 35 Cl-H 37 Cl:  E ip = 2.250(1) cm -1,  E oop = 2.335(1) cm -1. * Assignment of weak hot-bands underway.