Chemistry in action : making molecular movies with ultrafast electron diffraction and data science / Lai Chung Liu.
Liu, Lai Chung.
2020
QD453.3 .L58 2020
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Title Chemistry in action : making molecular movies with ultrafast electron diffraction and data science / Lai Chung Liu.
Author Liu, Lai Chung.
ISBN 9783030548513 (electronic book)
3030548511 (electronic book)
3030548503
9783030548506
DOI https://doi.org/10.1007/978-3-030-54851-3
https://doi.org/10.1007/978-3-030-54
Published Cham, Switzerland : Springer, [2020]
Language English
Description 1 online resource
Item Number 10.1007/978-3-030-54851-3 doi
10.1007/978-3-030-54
Call Number QD453.3 .L58 2020
Dewey Decimal Classification 541/.2
Summary The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of molecules. The author shows that there is a simple solution that occurs during barrier crossing in which the highly anharmonic potential at that point in nuclear rearrangements couples high- and low-frequency vibrational modes to give highly localized nuclear motions, reducing hundreds of potential degrees of freedom to just a few key modes. Specific examples are given in this thesis, including two photoinduced phase transitions in an organic system, a ring closure reaction, and two direct observations of nuclear reorganization driven by spin transitions. The emerging field of structural dynamics promises to change the way we think about the physics of chemistry and this thesis provides tools to make it happen.
Note "Doctoral thesis accepted by University of Toronto, Canada."
Bibliography, etc. Note Includes bibliographical references.
Access Note Access restricted to users with valid LAU account.
Access limited to authorized users.
Series Springer theses.
In Springer Nature eBook
Available in Other Form Print version: 9783030548506
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Chapter1: Introduction
Chapter2: Methods: Experimental Techniques and Data Science
Chapter3: Ultrafast Structural Dynamics of (EDO-TTF)2X
Chapter4: Photocyclization Dynamics of Diarylethene
Chapter5: Photoinduced Spin Crossover in Iron(II) Systems
Chapter6: Future Work
Chapter7: Conclusion.

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