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Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science/ by Lai Chung Liu.
Author:	Liu, Lai Chung.
Description:	XX, 239 p. 110 illus., 106 illus. in color.online resource. :
Contained By:	Springer Nature eBook
Subject:	Crystallography. -
Online resource:	https://doi.org/10.1007/978-3-030-54851-3
ISBN:	9783030548513

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

Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science[electronic resource] /by Lai Chung Liu. - 1st ed. 2020. - XX, 239 p. 110 illus., 106 illus. in color.online resource. - Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053. - Springer Theses, Recognizing Outstanding Ph.D. Research,.

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.

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.

ISBN: 9783030548513

Standard No.: 10.1007/978-3-030-54851-3doiSubjects--Topical Terms:

583281
Crystallography.

LC Class. No.: QC170-197

Dewey Class. No.: 539

Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science
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520 $a 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.
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