Methyl Torsional Levels in 9-Methylanthracene

Slides:

Advertisements

Similar presentations

Talitha M. Selby, Jasper R. Clarkson, H. Daniel Lee, and Timothy S. Zwier Isomer Specific Spectroscopy and Conformational Energetics of ortho-, meta-,

Advertisements

Fourier transform microwave spectrum of isobutyl mercaptan Kanagawa Institute of Technology 1 and The Graduate University for Advanced Studies 2 Yugo Tanaka,

Frequency and Time Domain Studies of Toluene Adrian M. Gardner, Alistair M. Green, Julia A. Davies, Katharine L. Reid and Timothy G. Wright.

Hamiltonians for Floppy Molecules (as needed for FIR astronomy) A broad overview of state-of-the-art successes and failures for molecules with large amplitude.

Conformational isomerization of bis-(4-hydroxyphenyl)methane in a supersonic jet expansion. Part II: Internal mixing and low barrier potential energy surface.

Deducing Anharmonic Coupling Matrix Elements from Picosecond Time- Resolved Photoelectron Spectra Katharine Reid (Julia Davies, Alistair Green) School.

Laser Induced Fluorescence Structural information about the ground and excited states of molecules. Excitation experiments  Excited state information.

The torsional spectrum of disilane N. Moazzen-Ahmadi, University of Calgary V.-M. Horneman, University of Oulu, Finland.

Fluorescence spectroscopy of jet- cooled phenylvinylacetylene in its ground and first excited states Speaker: Ching-Ping Liu Coworkers: Josh Newby and.

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.

First high resolution analysis of the 5 3 band of nitrogen dioxide (NO 2 ) near 1.3 µm Didier Mondelain 1, Agnès Perrin 2, Samir Kassi 1 & Alain Campargue.

Dispersed Fluorescence Spectroscopy of Jet-Cooled p-Aminotoluene 61 st OSU ISMS 2006 Partha Biswas, a) Montu Kumar Hazra a) and Tapas Chakraborty a,b)

Copyright © Professor Sang Kuk Lee, Department of Chemistry, Pusan National University. All rights reserved. 1 The 67 th International Symposium on Molecular.

Copyright © Professor Sang Kuk Lee, Department of Chemistry, Pusan National University. All rights reserved. 1 The 69 th Meeting of International Symposium.

Chirality of and gear motion in isopropyl methyl sulfide: Fourier transform microwave study Yoshiyuki Kawashima, Keisuke Sakieda, and Eizi Hirota* Kanagawa.

Nathan R. Pillsbury, Timothy S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907; David F. Plusquellic, NIST, Gaithersburg,

Evidence of Radiational Transitions in the Triplet Manifold of Large Molecules Haifeng Xu, Philip Johnson Stony Brook University Trevor Sears Brookhaven.

Funded by: NSF Timothy C. Steimle, Fang Wang a Arizona State University, USA & Joe Smallman b, Physics Imperial College, London a Currently at JILA THE.

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

ROTATIONALLY RESOLVED ELECTRONIC SPECTRA OF SECONDARY ALKOXY RADICALS 06/22/10 JINJUN LIU AND TERRY A. MILLER Laser Spectroscopy Facility Department of.

Fukuoka Univ. A. Nishiyama, A. Matsuba, M. Misono Doppler-Free Two-Photon Absorption Spectroscopy of Naphthalene Assisted by an Optical Frequency Comb.

Novel Applications of a Shape Sensitive Detector 2: Double Resonance Amanda Shirar Purdue University Molecular Spectroscopy Symposium June 19, 2008.

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

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

Analysis of strongly perturbed 1 1  – 2 3  + – b 3  states of the KRb molecule J. T. Kim 1, Y. Lee 2, and B. Kim 3 1 Department of Photonic Engineering,

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

MODULE 26 (701) RADIATIONLESS DEACTIVATION OF EXCITED STATES We have used terms such as "internal conversion" and "intersystem crossing" without thinking.

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

Conformation specific spectroscopy of jet- cooled 4-phenyl-1-butene Joshua A. Sebree, Josh J. Newby, Nathan R. Pillsbury, Timothy Zwier Department of Chemistry,

ULTRAHIGH-RESOLUTION SPECTROSCOPY OF DIBENZOFURAN S 1 ←S 0 TRANSITION SHUNJI KASAHARA 1, Michiru Yamawaki 1, and Masaaki Baba 2 1) Molecular Photoscience.

Fundamentals and Torsional Combination Bands of Two Isomers of the OCS-CO 2 Complex J. Norooz Oliaee, M. Dehghany, F. Mivehvar, Mahin Afshari, N. Moazzen-Ahmadi.

Rotationally-resolved high-resolution laser spectroscopy of the B 2 E’ – X 2 A 2 ’ transition of 14 NO 3 radical 69th International Symposium on Molecular.

Molecular Triplet States: Excitation, Detection, and Dynamics Wilton L. Virgo Kyle L. Bittinger Robert W. Field Collisional Excitation Transfer in the.

Copyright © Professor Sang Kuk Lee, Department of Chemistry, Pusan National University. All rights reserved. 1 The 67 th International Symposium on Molecular.

The character of the long-lived state formed from S 1 of Phenylacetylene Philip M. Johnson and Trevor J. Sears Brookhaven National Laboratory and Stony.

Jablonski Diagram electronic ground state A F P energy IC ISC IC S0S0 S1S1 S2S2 SnSn (ro)-vibrational states of el. excited states T1T1 T2T2 A = photon.

The photophysical properties of quadruply bonded M 2 arylethynyl carboxylate complexes 64th International Symposium on Molecular Spectroscopy Carly Reed.

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

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

Structure and excited-state dynamics of the S1 B3u‐S0 Ag states of pyrene through high-resolution laser spectroscopy Yasuyuki Kowaka We study the vibrational,rotational.

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

Microwave Study of a Hydrogen-Transfer-Triggered Methyl-Group Internal Rotation in 5-Methyltropolone Vadim V. Ilyushin a, Emily A. Cloessner b, Yung-Ching.

DISPERSED FLUORESCENCE (DF) SPECTROSCOPY OF JET-COOLED METHYLCYCLOHEXOXY (MCHO) RADICALS Jahangir Alam, Md Asmaul Reza, Amy Mason, Neil Reilly and Jinjun.

Hydrogen-bond between the oppositely charged hydrogen atoms It was suggested by crystal structure analysis. A small number of spectroscopic studies have.

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

JET-COOLED LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF T-BUTOXY NEIL J. REILLY* and JINJUN LIU Department of Chemistry University of Louisville TERRY A.

Adam J. Fleisher Philip J. Morgan David W. Pratt Department of Chemistry University of Pittsburgh Non-symmetric push-pull molecules in the gas phase: High.

The optical spectrum of SrOH revisited: Zeeman effect, high- resolution spectroscopy and Franck- Condon factors TRUNG NGUYEN, DAMIAN L KOKKIN, TIMOTHY.

A. Nishiyama a, K. Nakashima b, A. Matsuba b, and M. Misono b a The University of Electro-Communications b Fukuoka University High Resolution Spectroscopy.

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.

VIBRONIC ANALYSIS FOR TRANSITION OF ISOPROPOXY Rabi Chhantyal-Pun, Mourad Roudjane, Dmitry G. Melnik and Terry A. Miller TD03.

OPTICAL-OPTICAL DOUBLE RESONANCE SPECTROSCOPY OF SrOH: THE 2 Π(000) – 2 Π(000) AND THE 2 Σ + (000) – 2 Π 1/2 (000) TRANSITIONS J.-G. WANG, P. M. SHERIDAN,

Observation of combination bands involving intermolecular vibrations of CO 2 -, N 2 - and OCS-N 2 O complexes using an external cavity quantum cascade.

Conformational effects on resolved emission spectra of floppy aromatic molecules Sujit S. Panja Department of chemistry Indian Institute of Technology.

Md Asmaul Reza, Jahangir Alam, Amy Mason, Neil Reilly and Jinjun Liu Department of Chemistry, University of Louisville JET-COOLED DISPERSED FLUORESCENCE.

CONFORMATION-SPECIFIC ELECTRONIC SPECTROSCOPY OF JET-COOLED 5-PHENYL-1-PENTENE NATHAN R. PILLSBURY, TALITHA M. SELBY, AND TIMOTHY S. ZWIER, Department.

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

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

LASER INDUCED FLUORESCENCE SPECTROSCOPY OF THE SiNSi RADICAL II: IDENTIFICATIONS OF THE A2A1, B2B1, AND D2Sg+ STATES C. MOTOYOSHI, Y. SUMIYOSHI, Y. ENDO.

Vibronic Emission Spectroscopy of Benzyl-type Radicals Generated from Chloro-Substituted o-Xylenes in Corona Dischargea Young Wook Yoon and Sang Kuk Lee.

Masaaki Baba (Kyoto University) Yosuke Semba Kazuto Yoshida

Doppler-free two-photon absorption spectroscopy of vibronic excited states of naphthalene assisted by an optical frequency comb UNIV. of Electro-Communications.

The exotic excited state behavior of 3-phenyl-2-propynenitrile

Remeasurement* of the Microwave Spectrum of

(Kobe Univ. ) Takumi Nakano, Ryo Yamamoto, Shunji Kasahara

High-resolution Laser Spectroscopy

MOLECULES WITH A SIX-FOLD BARRIER: MICROWAVE SPECTRUM OF TOLUENE

OBSERVATION OF LEVEL-SPECIFIC PREDISSOCIATION RATES IN S1 ACETYLENE

71st ISMS UV Photodissociation Spectroscopy of Temperature-Controlled Hydrated Phenol Cluster Cation Itaru KURUSU, Reona YAGI, Yasutoshi KASAHARA, Haruki.

Presentation transcript:

Methyl Torsional Levels in 9-Methylanthracene Masaaki Baba (Kyoto Univ. Japan) Yuki Noma (Kyoto Univ. Japan) Shunji Kasahara (Kobe Univ. Japan) Takaya Yamanaka (IMS, Japan) Jon T. Hougen (NIST, Gaithersburg)

Excited-state Dynamics dissociation ISC T1 fluo. S0 phos. IC S1 abs. IVR S2 Vibronic Coupling (NBO) Spin-orbit Coupling Coriolis Coupling Excited-state Dynamics

CH3 Internal Rotation (Torsion) How large is the barrier height V3 and V6 ? Enhancement of radiationless transitions. ¶ Density Increment of coupling levels ¶ Vibrational mixing including out-of-plane modes

CH3 Torsion of Toluene V3 = 0 V6(S0) = -4.874 cm-1 Staggered Eclipsed D. R. Borst and D. W. Pratt, J. Chem. Phys. 113, 3658 (2000)

Molecular Symmetry Group G12 (C3v×C2) z(b) x(c) μ y(a) G12　is isomorphic to the D3h group.

Energy Levels of CH3 Torsion of Toluene or 9MA

Fluorescence Excitation Spectra in Supersonic Jets 000 000 CH3 cm-1

Molecular Orbitals and S1 - S0 Transition CH3 ψ53 ψ49 ψ52 LUMO ψ48 LUMO ψ51 HOMO ψ47 HOMO ψ46 ψ50

Fluorescence Excitation Spectrum of 9MA J. A. Syage, P. M. Felker, and A. H. Zewail, J. Chem. Phys. 82, 2896 (1985) F. Tanaka, S. Hirayama, and K. Shobatatake, Bull. Chem. Soc. Jpn. 59, 2011 (1986) Y. Stepanenko, A. L. Sobolewski, and A. Mordzinski, J. Mol.Spectrosc. 233, 15 (2005) M. Nakagaki, E. Nishi, K. Sakota, H. Nakano,and H. Sekiya, Chem. Phys. In press.

Rotational envelopes 0a1’→ 0a1’ 1e”→ 1e” 1e’→ 4e’ 0a1’→ 3a1”

Assignments can be confirmed by OODR.

Fluorescence Excitation Spectrum of 9MA in a Supersonic Jet

Energy Levels of CH3 Torsion of 9MA 100 200 300 400 V 6 (cm -1 ) Level Energy (cm 6a1’ 3a2” 3a1” 6a2’ 0a1’ 2e’ 1e” 4e’ 5e” 7e” 40 cm-1 S1 105 cm-1 S0

Energy Levels of CH3 Torsion of 9MA Calc. 4e' 3a1" 3a2" 2e' 1e" 0a1' 0 cm-1 5 20 57 23 72 S1 V6 = 40 cm-1 F = 5.2 cm-1 85 57 38 20 5.1 0 cm-1 0a1’→ 0a1’ 1e”→ 1e” ← 0.8 cm-1 → Calc. 4e' 0 cm-1 4 16 26 79 110 0 cm-1 4.3 16 25 79 100 S0 3a1" 3a2" F = 5.2 cm-1 2e' 1e" V6 = 105 cm-1 0a1'

Barrier Height to CH3 Rotation (cm-1) S0 -4.874 81 25 S1 -26.376 25 (V3) 10 (V6)

Barrier Height to CH3 Rotation (cm-1) S0 ~105 73 ~0 S1 ~40 292 ~0

Single Vibronic Level Dispersed Fluorescence Spectrum of 9MA in a Supersonic Jet IVR starts at 388 cm-1.

Enhancement of IVR by CH3 J. B. Hopkins, D. E. Powers, and R. E. Smalley, J. Chem. Phys. 71, 3886 (1979)

IVR in Anthracene W. R. Lambert, P. M. Felker, and A. H. Zewail, J. Chem. Phys. 81, 2209 (1984)

Rotational Structure of Vibronic Bands of Toluene H. Ishikawa, Ph.D. Thesis, Kyoto Univ. 1993.

CH3 Torsion of Toluene D. R. Borst and D. W. Pratt, J. Chem. Phys. 113, 3658 (2000)

Collimated Molecular Beam and Single-mode Laser Ti:Sapphire Ring Laser CW YVO4 Laser Millenia X CR899-29 ΔE < 0.0001 cm-1 Wavetrain Magnet Computer Pulse nozzle Photon Counter UV PMT

Ultrahigh-Resolution Spectrum of 0-0 Band CH3 0a1’→ 0a1’ 1e’’→1e’’

Calculated Spectra of 9MA A-type B-type C-type cm-1

9MA calculation experiment cm-1

Rotation-torsion Hamiltonian

Ultrahigh-resolution Spectrum and Zeeman Effect

CH3 Levels of 9MA and the Excited-state Dynamics The potential barrier to rotation (V6) is estimated to be 110 (S0)and 40 (S1) cm-1, which is higher than that in toluene. The transition energy of 1e”→ 1e” is larger than 0a1’→ 0a1’ by 0.8 cm-1. IVR take places at the vibronic levels higher than 388 cm-1. The interaction with the triplet state is weak.