Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science / by Lai Chung Liu.

Format:

Book

Author/Creator:

Liu, Lai Chung, author.

Contributor:

SpringerLink (Online service)

Series:

Physics and Astronomy (SpringerNature-11651)

Springer Theses, Recognizing Outstanding Ph.D. Research,. 2190-5053

Springer Theses, Recognizing Outstanding Ph.D. Research, 2190-5053

Language:

English

Subjects (All):

Atoms.

Physics.

Chemistry, Physical and theoretical.

Analytical chemistry.

Crystallography.

Atomic, Molecular, Optical and Plasma Physics.

Theoretical and Computational Chemistry.

Analytical Chemistry.

Crystallography and Scattering Methods.

Local Subjects:

Atomic, Molecular, Optical and Plasma Physics.

Theoretical and Computational Chemistry.

Analytical Chemistry.

Crystallography and Scattering Methods.

Physical Description:

1 online resource (XX, 239 pages) : 110 illustrations, 106 illustrations in color.

Edition:

First edition 2020.

Contained In:

Springer Nature eBook

Place of Publication:

Cham : Springer International Publishing : Imprint: Springer, 2020.

System Details:

text file PDF

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.

Contents:

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.

Other Format:

Printed edition:

ISBN:

978-3-030-54851-3

9783030548513

Access Restriction:

Restricted for use by site license.