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Working Group High Resolution Molecular Spectroscopy

Welcome to the High Resolution Molecular Spectroscopy at the Heinrich-Heine-University Düsseldorf.

Ein Beitrag geteilt von ozon (@ozon) am Apr 9, 2020 um 11:36 PDT (Link zu INSTAGRAM)


Every Monday at 4:15 p.m. we stream or upload the event to the YouTube channel.

Structure and excited state dipole moments of oxygen containing heteroaromatics: 2,3-benzofuran

J. Mol. Struct. 1210, 127992 (2020).
accepted: 29.02.2020

Structural changes upon electronic excitation in 1,2-dimethoxybenzene from Franck-Condon fits of the fluorescence emission spectra

J. Mol. Struct. 1211, 127855 (2020).
available online: 28.02.2020

The lecture series "Climate crises" starts in the SS 2020.

The excited state dipole moment of 2-[(4-methoxyphenyl)ethynyl]-3-(1-methyl-1H-indol-3-yl)-quinoxaline from thermochromic shifts

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 117574 (2019).
published: 25.10.2019

The lecture series "Climate change and me" starts in the WS 2019/2020.

Structures, dipole moments and excited state lifetime of isolated 4-cyanoindole in its ground and lowest electronically excited singlet states

Phys. Chem. Chem. Phys. 21, 14766-14774 (2019).
doi: 10.1039/c9cp01618j
published: 21.06.2019

Michael Schneider successfully finished his doctorate with the thesis entitled
"Structures, dipoles and dynamics of large molecules in their excited singlet states".

Alexander Wohlert successfully finished his doctorate with the thesis entitled
"Davydov-Aufspaltung, Kristallisationsgrad und Bestimmung der Orientierung von Kristallen mittels polarisierter IR-Spektroskopie".

Competition between folded and extended structures of alanylalanine (Ala-Ala) in a molecular beam

Phys. Chem. Chem. Phys. 21, 14126-14132 (2019).
doi: 10.1039/C9CP00140A
published: 06.03.2019

Structural changes upon electronic excitation in 1,2-dimethoxybenzene from rotationally resolved electronic spectroscopyof various isotopologues

J. Mol. Struct. 1184, 139-145 (2019).
accepted: 24.01.2019

Conformational Preferences of Isolated Glycylglycine (Gly-Gly) Investigated with IRMPD-VUV Action Spectroscopy and Advanced Computational Approaches

J. Phys. Chem. A 123, 862-872 (2019).
doi: 10.1021/acs.jpca.8b10881
publised: 04.01.2019

Additional data for evaluation of the excited statedipole moments of anisole

Data in Brief 21, 313-315 (2018).
accepted: 28.09.2018

Rotationally resolved electronic spectroscopy of 3-cyanoindole and the 3-cyanoindole–water complex

PhysChemChemPhys 20, 23441-23452 (2018).
doi: 10.1039/C8CP04020F
accepted: 14.08.2018

Excited state dipole moments of anisole in gas phase and solution

Journal of Photochemistry & Photobiology A: Chemistry 365, 213–219 (2018).
accepted: 31.07.2018

Professor Dr. Michael Schmitt
Editor of Journal of Molecular Structure

14.12.2017 Graduation | Tim Gorn 

Tim Gorn successfully finished his doctorate with the thesis entitled
"Strukturelle Untersuchungen an kleinen Peptiden in der Gasphase, mithilfe der Infrarot-Mehrphotonen-Dissoziationsspektroskopie".

Excited-State Dipole Moments and Transition Dipole Orientations of Rotamers of 1,2-, 1,3, and 1,4-Dimethoxybenzene

ChemPhysChem 19, 307-318 (2018).
doi: 10.1002/cphc.201701095
accepted: 26.11.2017

13.11.2017 Publication | Michael Schmitt and W. Leo Meerts

Structures and Dipole Moments of Molecules in Their Electronically Excited States

Frontiers and Advances in Molecular Spectroscopy 143 - 194 (2017)
Editor: Jaan Laane
eBook ISBN: 9780128112212
Paperback ISBN: 9780128112205

02.11.2017  Approval DFG application

The DFG application SCHM1043/14-1 has been approved
with 192,000€ for 3 years on Nov. 2, 2017

Rotationally Resolved Electronic Spectroscopy of Rotamers of 1,3-Dimethoxybenzene

Phys.Chem.Chem.Phys. 19, 21364-21372 (2017).  
doi: 10.1039/C7CP04401A
accepted: 24.07.2017

Franck Condon spectra of the 2-tolunitrile dimer and the binary 2-tolunitrile water cluster in the gas phase

Journal of Molecular Structure, 1143, 265 (2017).
doi: 10.1016/j.molstruc.2017.04.092
accepted: 24.04.2017

Influence of the position of the methoxy group on the stabilities of the syn and anti conformers of 4-, 5-, and 6-methoxyindole

Journal of Molecular Spectroscopy, 337, 137-144 (2017).
doi: 10.1016/j.jms.2017.04.009
accepted: 14.04.2017

Felix Gmerek successfully finished his doctorate with the thesis entitled
"Studies on monomeric and dimeric toluonitriles".

Martin Wilke successfully finished his doctorate with the highest distinction "summa cum laude". His thesis was entitled
"Influence of different substituents on the character of electronically excited states".

Modulation of the La/Lb Mixing in an Indole Derivative: A Position-Dependent Study Using 4‑, 5‑, and 6‑Fluoroindole

J. Phys. Chem. A 121, 1597-16062017 (2017).
doi: 10.1021/acs.jpca.6b12605
accepted: 13.01.2017

Far-infrared spectra of the Tryptamine A conformer by IR-UV Ion Gain Spectroscopy

Phys.Chem.Chem.Phys. 18, 32116-32124 (2016).
doi: 10.1039/C6CP02358D
accepted: 10.11.2016

09.11.2016  Approval DFG application

The DFG application SCHM104313-1 has been approved
with 450,000€ for 3 years on Nov. 9, 2016

Rotationally resolved electronic spectroscopy study of the conformational space of 3-methoxyphenol

Journal of Molecular Structure 1140, 59-66 (2017).
doi: 10.1016/j.molstruc.2016.10.096
accepted: 31.10.2016

On the Additivity of Molecular Fragment Dipole Moments of 5-Substituted Indole Derivatives

ChemPhysChem 17, 2736 -2743 (2016).
doi: 10.1002/cphc.201600420
First published: 8. July 2016

Josefin Wilke successfully finished her doctorate with the thesis entitled
"Rotationally resolved electronic Stark Spectroscopy".

The Conformational Space of the Neurotransmitter Serotonin: How the Rotation of a Hydroxyl Group Changes All

PCCP 18, 13538 (2016).
doi: 10.1039/c6cp02130a
Accepted: 19.04.2016

Michaela Braun successfully finished her doctorate with the thesis entitled
"Infrarot-Spektroskopische Untersuchungen in der Gasphase, kondensierte Phase und an orientierten Substanzen".

The conference took place from August 24 - 29, 2014 on the campus of the Heinrich-Heine-University Düsseldorf, Germany. For more information please visit the homepage of EUCMOS 2014.

Christian Brand successfully finished his doctorate with the thesis entitled
"Shaping and Modelling Electronically Excited States of Indoles".

Thi Bao Chau Vu successfully finished her doctorate with the thesis entitled
"Hochauflösende elektronische Spektroskopie von heteroaromatischen Verbindungen".

Marcel Böhm successfully finished his doctorate with the thesis entitled
"Rotationsaufgelöste elektronische Spektroskopie an flexiblen Molekülen und Molekülkomplexen".

High Resolution Molecular Spectroscopy

Working group leader

Photo of

Prof. Dr. M. Schmitt

Heinrich-Heine-Universität Physikalische Chemie I
Building: 26.43
Floor/Room: 02.43
40204 Düsseldorf
Phone +49 211 81-12100


Andrea Lotzwick

Building: 26.43
Floor/Room: 02.39
Phone +49 211 81-12110
Fax +49 211 81-12179

Office Hours

Mo.-Fr. 08:00 - 12:00

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