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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science (Hardcover, 1st ed. 2020)
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Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science (Hardcover, 1st ed. 2020)
Series: Springer Theses
Expected to ship within 10 - 15 working days
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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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