Multidimensional Time-Resolved Spectroscopy

325 Pages·2019·37.004 MB·English

by  Tiago Buckup, Jérémie Léonard

Topics in Current Chemistry Collections
Tiago Buckup
Jérémie Léonard Editors
Multidimensional
Time-Resolved
Spectroscopy
Topics in Current Chemistry Collections
Journal Editors
Massimo Olivucci, Siena, Italy and Bowling Green, USA
Wai-Yeung Wong, Hong Kong
Series Editors
Hagan Bayley, Oxford, UK
Greg Hughes, Codexis Inc, USA
Christopher A. Hunter, Cambridge, UK
Seong-Ju Hwang, Seoul, South Korea
Kazuaki Ishihara, Nagoya, Japan
Barbara Kirchner, Bonn, Germany
Michael J. Krische, Austin, USA
Delmar Larsen, Davis, USA
Jean-Marie Lehn, Strasbourg, France
Rafael Luque, Córdoba, Spain
Jay S. Siegel, Tianjin, China
Joachim Thiem, Hamburg, Germany
Margherita Venturi, Bologna, Italy
Chi-Huey Wong, Taipei, Taiwan
Henry N.C. Wong, Hong Kong
Vivian Wing-Wah Yam, Hong Kong
Chunhua Yan, Beijing, China
Shu-Li You, Shanghai, China
Aims and Scope
The series Topics in Current Chemistry Collections presents critical reviews from
the journal Topics in Current Chemistry organized in topical volumes. The scope
of coverage is all areas of chemical science including the interfaces with related
disciplines such as biology, medicine and materials science.
The goal of each thematic volume is to give the non-specialist reader, whether in
academia or industry, a comprehensive insight into an area where new research is
emerging which is of interest to a larger scientific audience.
Each review within the volume critically surveys one aspect of that topic and
places it within the context of the volume as a whole. The most significant
developments of the last 5 to 10 years are presented using selected examples to
illustrate the principles discussed. The coverage is not intended to be an
exhaustive summary of the field or include large quantities of data, but should
rather be conceptual, concentrating on the methodological thinking that will allow
the non-specialist reader to understand the information presented.
Contributions also offer an outlook on potential future developments in the field.
Moreinformationaboutthisseriesathttp://www.springer.com/series/14181
Tiago Buckup • Jérémie Léonard
Editors
Multidimensional
Time-Resolved
Spectroscopy
With contributions from
Johanna Brazard • Tiago Buckup • Thomas P. Cheshire
Marco Garavelli • Zhenkun Guo • Harold Y. Hwang
Jan Philip Kraack • Jérémie Léonard • Xian Li • Jian Lu
Margherita Maiuri • Brian P. Molesky • Andrew M. Moran
Shaul Mukamel • Keith A. Nelson • Artur Nenov
Benjamin K. Ofori-Okai • Ivan Rivalta • Javier Segarra-Martí
Yaqing Zhang
Editors
Tiago Buckup Jérémie Léonard
Physikalisch-Chemisches Institut Université de Strasbourg
Universität Heidelberg CNRS Institut de Physique et
Heidelberg, Germany Chimie des Matériaux de Strasbourg
UMR 7504, and Labex NIE
67034 Strasbourg, France
Partly previously published in Top Curr Chem (Z) Volume 375 (2017); Top Curr Chem (Z)
Volume 376 (2018).

ISSN 2367-4067
Topics in Current Chemistry Collections
ISBN 978-3-030-02477-2

Library of Congress Control Number: 2018961135

© Springer Nature Switzerland AG 2019
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Contents

Preface .................................................................................................................. vii

Introduction to State-of-the-Art Multidimensional Time-Resolved
Spectroscopy Methods ........................................................................................ 1
Jan Philip Kraack and Tiago Buckup: Topics in Current Chemistry 2018,
2019:28 (25, June 2018) https://doi.org/10.1007/s41061-018-0206-3

Electronic Couplings in (Bio-) Chemical Processes ......................................... 27
Margherita Maiuri and Johanna Brazard: Top Curr Chem (Z) 2018,
2019:10 (20, March 2018) https://doi.org/10.1007/s41061-017-0180-1

Towards Accurate Simulation of Two-Dimensional
Electronic Spectroscopy ..................................................................................... 63
Javier Segarra-Martí, Shaul Mukamel, Marco Garavelli, Artur Nenov
and Ivan Rivalta: Top Curr Chem (Z) 2018, 2019:24 (1, June 2018)
https://doi.org/10.1007/s41061-018-0201-8

Ultrafast structural molecular dynamics investigated with 2D infrared
spectroscopy methods ......................................................................................... 113
Jan Philip Kraack: Top Curr Chem (Z) 2017, 2019:86 (25, October 2017)
https://doi.org/10.1007/s41061-017-0172-1

Multidimensional Vibrational Coherence Spectroscopy ................................ 207
Tiago Buckup and Jérémie Léonard: Topics in Current Chemistry 2018,
2019:35 (24, August 2018) https://doi.org/10.1007/s41061-018-0213-4

Two-Dimensional Resonance Raman Signatures of Vibronic
Coherence Transfer in Chemical Reactions ..................................................... 247
Zhenkun Guo, Brian P. Molesky, Thomas P. Cheshire
and Andrew M. Moran: Top Curr Chem (Z) 2017, 2019:87
(2, November 2017) https://doi.org/10.1007/s41061-017-0173-0

v
Contents
Two-Dimensional Spectroscopy at Terahertz Frequencies ............................ 275
Jian Lu, Xian Li, Yaqing Zhang, Harold Y. Hwang,
Benjamin K. Ofori-Okai and Keith A. Nelson: Top Curr Chem (Z) 2018,
2019:6 (23, January 2018) https://doi.org/10.1007/s41061-018-0185-4
vi
Preface

Constant development of new spectroscopy methods promise unchallengeable
breakthroughs in unraveling natural phenomena and in the development of new
materials, a crucial aspect in several fields of our technological society. Novel
methods based on light interaction with matter have been a prime tool to investigate
optical, electronic, structural, as well magnetic properties of matter. Particularly in
time resolved spectroscopy, methods involving multiple, i.e. non-linear, light-
matter interactions have been rapidly developing to become a very valuable
spectroscopy tool in the investigation of new phenomena.
This topical collection focuses on recent developments in so-called
multidimensional time-resolved spectroscopy methods. Over the last decade,
multidimensional methods have undergone tremendous progress and extended over
a very broad spectral range from the THz to the ultraviolet, allowing for
investigation of all kinds of (bio)molecules, aggregates, solid compounds and
composite systems, only to name a few examples. In spite of that, non-specialists
are still facing several obstacles in understanding what kind of information
multidimensional spectroscopy contains. One of the major obstacles is the tsunami
of experimental techniques variants and terminologies used. In this sense, this
topical collection pursues three goals. (i) The first one is to offer a very general
overview of all the techniques in one single place. This, we believe, is a unique
opportunity for newcomers as well as for users of a specific technique to learn and
understand how complementary the content information among techniques can be
in spite of differing spectral ranges or other technical features. (ii) The second goal
is to review what these techniques can do for scientists of akin areas. This is richly
illustrated in each one of the contributions of this Topics in Current Chemistry by
discussing several recent experimental and numerical examples. (iii) The last
objective is to discuss what are the open experimental and computational questions
and the challenges still facing the community.
This collection has been organized to largely reflect these questions. The
opening chapter by Kraack and Buckup is strongly recommended to anyone new to
the field, since it addresses general points like terminology and classification of
vii
Preface
multidimensional techniques, which are used in the rest of the collection. It also
deals with questions about why or when to use multidimensional spectroscopy. The
following contributions focus on the different types of techniques, which were
grouped in regard to the spectral region. The second and third contributions by
Maiuri and Brazard and Segarra-Marti et al. review the experimental and theoretical
developments of 2D Electronic Spectroscopy, respectively. Coupling between
electronic states is the central topic of these two contributions. The contribution
“Ultrafast structural molecular dynamics investigated with 2D infrared
spectroscopy methods” by Kraack reviews in detail multidimensional techniques
variants in the infrared spectral region. The topic of the chapter “Multidimensional
Vibrational Coherence Spectroscopy” is Stimulated Raman spectroscopies and the
mapping of Raman active vibrations in different electronic states. In the
contribution “Two-Dimensional Resonance Raman Signatures of Vibronic
Coherence Transfer in Chemical Reactions” by Guo et al, the latter topic is
expanded to elucidate the coherence transfer process in small molecules. Finally,
the contribution by Lu et al reviews the multidimensional techniques in the
terahertz spectral region and mixtures of these techniques with other variants.
We would like to thank all authors for their contributions and exceptional effort.
The Editors also specially thank the referees for their outstanding comments and
insights in the review process of this Topics in Current Chemistry.

Tiago Buckup and Jérémie Léonard

Dr. Tiago Buckup
Physikalisch-Chemisches Institut, Universität Heidelberg, Heidelberg, Germany
viii
Preface

Dr. Jérémie Léonard
Université de Strasbourg, CNRS Institut de Physique et Chimie des Matériaux de
Strasbourg UMR 7504, and Labex NIE, 67034 Strasbourg, France
ix