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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Electron crystallography of organic materials
1Advanced Characterization, Corporate Strategic Research, ExxonMobil Research and Engineering Co., Inc., 1545 Route 22 East, Annandale, NJ 08801, USA. d.l.dorset@exxonmobil.com <d.l.dorset@exxonmobil.com>
Electron crystallography effectively determines organic material structures using direct methods and electron diffraction. This technique successfully elucidated structures of polymers, pigments, and protein assemblies.
Area of Science:
- Materials Science
- Crystallography
- Chemistry
Background:
- Electron crystallography is a powerful technique for analyzing the structure of materials at the atomic level.
- Direct methods offer a pathway for ab initio crystallographic phase determination.
Purpose of the Study:
- To review the application of electron crystallography to organic materials.
- To highlight the effectiveness of direct methods for ab initio structure determination using electron diffraction.
Main Methods:
- Electron crystallography was employed to study various organic materials.
- Direct methods were utilized for crystallographic phase determination from electron diffraction intensities.
Main Results:
- Direct methods proved highly effective for ab initio structure analyses.
- Previously uncharacterized crystal structures were elucidated.
- Successful applications included chain-folded linear polymers, pigments, polydisperse linear chain arrays, and protein subgroup assemblies.
Conclusions:
- Electron crystallography, particularly with direct methods, is a valuable tool for organic materials research.
- The technique enables the determination of complex and previously unknown crystal structures.
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