Presentation is loading. Please wait.

Presentation is loading. Please wait.

International Symposium on Molecular Spectroscopy

Published byJaime Alvarado Fidalgo Modified over 7 years ago

Similar presentations

Presentation on theme: "International Symposium on Molecular Spectroscopy"— Presentation transcript:

1 International Symposium on Molecular Spectroscopy
STRUCTURAL EXPRESSION OF EXO-ANOMERIC EFFECT ELENA ALONSO, ISABEL PEÑA, CARLOS CABEZAS, JOSÉ L. ALONSO J. Phys. Chem. Lett., 2016, 7 (5), pp 845–850 Lab. Espectroscopia y Bioespectroscopia Edificio de Investigación QUIFIMA Area de Química-Física. Parque Científico. Unidad Asociada CSIC. Universidad de Valladolid Valladolid, Spain International Symposium on Molecular Spectroscopy 71ST MEETING - JUNE 20-24, CHAMPAIGN-URBANA, ILLINOIS

2 INTRODUCTION: “THE ANOMERIC EFFECT” ENDO- EXO-
The anomeric effect refers to the propensity of polar substituents, bonded to an anomeric center, to occupy the axial (α-anomer) position rather than the equatorial (β-anomer), as would normally be expected in a monosaccharide chair conformation. ENDO- EXO-

3 IN AN EQUATORIAL ACETAL:
NO ENDO-ANOMERIC CONTRIBUTION EXO-ANOMERIC CONTRIBUTION Aglycon conformational preference Methyl-β-D-xylopyranose

4 THE EXPERIMENT Experimental Approach + + Spectroscopic
Characterization Vaporization Gas Phase Isolation FT-MW Laser Ablation Supersonic Expansion LA CP + FTMW +

5 THE EXPERIMENT LA-CP-FTMW Nd:YAG laser Laser Solid sample Rotary Ne
Diffusion pump Nd:YAG laser

6 THE EXPERIMENT LA-CP-FTMW Nd:YAG laser Gas pulse Laser pulse Rotary
Jet Ne Laser pulse Rotary Diffusion pump Nd:YAG laser

7 THE EXPERIMENT LA-CP-FTMW Chirped MW pulse Gas pulse Polarization
spectrometer Gas pulse MW field Polarization Ne Laser pulse Chirped MW pulse Rotary Diffusion pump

8 THE EXPERIMENT LA-CP-FTMW Chirped MW pulse Detection FT Time-domain
spectrometer Gas pulse Molecular emission Ne Laser pulse Chirped MW pulse Rotary Diffusion pump Detection Detection Frequency-domain Time-domain FT

9 THE SPECTRUM:

10 SPECTRUM ANALYSIS: MP2/6-311G++(d,p) a MHz b cm-1 c cm-1
64 transitions Rigid Rotor a MHz b cm-1 c cm-1

11 SPECTRUM ANALYSIS: Isotopic species
PARENT

12 Structural Expression of Exo-Anomeric Effect
Sustitution structure: Kraitchman equations

13 International Symposium on Molecular Spectroscopy
Lab. Espectroscopia y Bioespectroscopia Edificio de Investigación QUIFIMA Area de Química-Física. Parque Científico. Unidad Asociada CSIC. Universidad de Valladolid Valladolid, Spain THANKS TO: Ministerio de Ciencia y Tecnología Junta de Castilla y León Consolider Ingenio-2010 “Astromol” Synergy NANOCOSMOS Research Funded by: International Symposium on Molecular Spectroscopy Pr. J.L. Alonso Dr.C.Cabezas Dra.I. Peña Dra.L.Kolesnikova Dra.C.Bermúdez S.Mata M.A.Rodriguez V.Diez

Download ppt "International Symposium on Molecular Spectroscopy"

Similar presentations

Microsolvation of  -propiolactone as revealed by Chirped-Pulse Fourier Transform Microwave Spectroscopy Justin L. Neill, Matt T. Muckle, Daniel P. Zaleski,

Microsolvation of  -propiolactone as revealed by Chirped-Pulse Fourier Transform Microwave Spectroscopy Justin L. Neill, Matt T. Muckle, Daniel P. Zaleski,
Electronic transitions of ScP N. Wang, Y. W. Ng, K. F. Ng, and A. S.-C. Cheung Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong.

Electronic transitions of ScP N. Wang, Y. W. Ng, K. F. Ng, and A. S.-C. Cheung Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong.
Galen Sedo, Jamie L. Doran, Shenghai Wu, Kenneth R. Leopold Department of Chemistry, University of Minnesota A Microwave Determination of the Barrier to.

Galen Sedo, Jamie L. Doran, Shenghai Wu, Kenneth R. Leopold Department of Chemistry, University of Minnesota A Microwave Determination of the Barrier to.
THE CONFORMATIONAL BEHAVIOUR OF GLUCOSAMINE I. PEÑA, L. KOLESNIKOVÁ, C. CABEZAS, C. BERMÚDEZ, M. BERDAKIN, A. SIMAO, J.L. ALONSO Grupo de Espectroscopia.

THE CONFORMATIONAL BEHAVIOUR OF GLUCOSAMINE I. PEÑA, L. KOLESNIKOVÁ, C. CABEZAS, C. BERMÚDEZ, M. BERDAKIN, A. SIMAO, J.L. ALONSO Grupo de Espectroscopia.
An Acoustic Demonstration Model for CW and Pulsed Spectroscopy Experiments Torben Starck, Heinrich Mäder Institut für Physikalische Chemie Christian-Albrechts-Universität.

An Acoustic Demonstration Model for CW and Pulsed Spectroscopy Experiments Torben Starck, Heinrich Mäder Institut für Physikalische Chemie Christian-Albrechts-Universität.
Evidence of Radiational Transitions in the Triplet Manifold of Large Molecules Haifeng Xu, Philip Johnson Stony Brook University Trevor Sears Brookhaven.

Evidence of Radiational Transitions in the Triplet Manifold of Large Molecules Haifeng Xu, Philip Johnson Stony Brook University Trevor Sears Brookhaven.
Two-Dimensional Chirped-Pulse Fourier Transform Microwave Spectroscopy Amanda Shirar June 22, 2010 65 th OSU International Symposium on Molecular Spectroscopy.

Two-Dimensional Chirped-Pulse Fourier Transform Microwave Spectroscopy Amanda Shirar June 22, th OSU International Symposium on Molecular Spectroscopy.
Laboratory of Molecular Spectroscopy & Nano Materials, Pusan National University, Republic of Korea Spectroscopic Identification of New Aromatic Molecular.

Laboratory of Molecular Spectroscopy & Nano Materials, Pusan National University, Republic of Korea Spectroscopic Identification of New Aromatic Molecular.
PURE ROTATIONAL SPECTRA OF THE REACTION PRODUCTS OF LASER ABLATED THORIUM METAL AND OXYGEN MOLECULES ENTRAINED WITHIN SUPERSONIC EXPANSIONS OF NOBLE GASES.

PURE ROTATIONAL SPECTRA OF THE REACTION PRODUCTS OF LASER ABLATED THORIUM METAL AND OXYGEN MOLECULES ENTRAINED WITHIN SUPERSONIC EXPANSIONS OF NOBLE GASES.
Observation of the weakly bound (HCl) 2 H 2 O cluster by chirped-pulse FTMW spectroscopy Zbigniew Kisiel, a Alberto Lesarri, b Justin Neill, c Matt Muckle,

Observation of the weakly bound (HCl) 2 H 2 O cluster by chirped-pulse FTMW spectroscopy Zbigniew Kisiel, a Alberto Lesarri, b Justin Neill, c Matt Muckle,
Maria Eugenia Sanz, Carlos Cabezas, Santiago Mata, José L. Alonso The Rotational Spectrum of Tryptophan.

Maria Eugenia Sanz, Carlos Cabezas, Santiago Mata, José L. Alonso The Rotational Spectrum of Tryptophan.
FOURIER TRANSFORM MICROWAVE SPECTROSCOPY OF ALKALI METAL HYDROSULFIDES: DETECTION OF KSH P. M. SHERIDAN, M. K. L. BINNS, J. P. YOUNG Department of Chemistry.

FOURIER TRANSFORM MICROWAVE SPECTROSCOPY OF ALKALI METAL HYDROSULFIDES: DETECTION OF KSH P. M. SHERIDAN, M. K. L. BINNS, J. P. YOUNG Department of Chemistry.
Daniel P. Zaleski, Hansjochen Köckert, Susanna L. Stephens, Nick R. Walker School of Chemistry, Bedson Building, Newcastle University, Newcastle upon Tyne,

Daniel P. Zaleski, Hansjochen Köckert, Susanna L. Stephens, Nick R. Walker School of Chemistry, Bedson Building, Newcastle University, Newcastle upon Tyne,
Electronic Transitions of Palladium Monoboride and Platinum Monoboride Y.W. Ng, H.F. Pang, Y. S. Wong, Yue Qian, and A. S-C. Cheung Department of Chemistry.

Electronic Transitions of Palladium Monoboride and Platinum Monoboride Y.W. Ng, H.F. Pang, Y. S. Wong, Yue Qian, and A. S-C. Cheung Department of Chemistry.
Laboratory of Molecular Spectroscopy, Pusan National University, Pusan, Republic of Korea Spectroscopic identification of isomeric trimethylbenzyl radicals.

Laboratory of Molecular Spectroscopy, Pusan National University, Pusan, Republic of Korea Spectroscopic identification of isomeric trimethylbenzyl radicals.
Grupo de Espectroscopia Molecular, Unidad Asociada CSIC Laboratorios de Espectroscopia y Bioespectroscopia Edificio Quifima. Parque Científico Universidad.

Grupo de Espectroscopia Molecular, Unidad Asociada CSIC Laboratorios de Espectroscopia y Bioespectroscopia Edificio Quifima. Parque Científico Universidad.
61st OSU International Symposium on Molecular Spectroscopy RI12 Rotational spectrum, electric dipole moment and structure of salicyl aldehyde Zbigniew.

61st OSU International Symposium on Molecular Spectroscopy RI12 Rotational spectrum, electric dipole moment and structure of salicyl aldehyde Zbigniew.
Grupo de Espectroscopía Molecular, Lab. De Espectroscopia y Bioespectroscopia Edificio Quifima, Unidad Asociada CSIC, Universidad de Valladolid Valladolid,

Grupo de Espectroscopía Molecular, Lab. De Espectroscopia y Bioespectroscopia Edificio Quifima, Unidad Asociada CSIC, Universidad de Valladolid Valladolid,
Molecular Stark Effect Measurements in Broadband Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectrometers Leonardo Alvarez-Valtierra, 1 Steven.

Molecular Stark Effect Measurements in Broadband Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectrometers Leonardo Alvarez-Valtierra, 1 Steven.
The Millimeter- and Submillimeter-Wave Spectrum of Propenal A. M. DALY, C. BERMÚDEZ, L. KOLESNIKOVÁ, AND J. L. ALONSO Grupo de Espectroscopia Molecular.

The Millimeter- and Submillimeter-Wave Spectrum of Propenal A. M. DALY, C. BERMÚDEZ, L. KOLESNIKOVÁ, AND J. L. ALONSO Grupo de Espectroscopia Molecular.

Similar presentations

Ads by Google