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An Excel Spreadsheet for a One-Dimensional Fourier Map in X-ray Crystallography
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Abstract
A Microsoft Excel spreadsheet, available online and from the author, is described. It calculates and graphically displays a one-dimensional electron density for a crystal structure and provides a convenient visual aid in the teaching of X-ray crystallography, particularly at the undergraduate level. The spreadsheet, as provided, includes data for the real crystal structure of a bromo-substituted long-chain aliphatic carboxylic acid, so that a variety of Fourier syntheses can be illustrated, including both Patterson and direct methods for solving crystal structures. Other data can easily be substituted. The spreadsheet is easily driven by a set of simple button-operated macros. It can be used in a classroom setting or, with a suitable explanatory text, as a self-teaching exercise.
Keywords (Audience):
First-Year Undergraduate / GeneralKeywords (Domain):
Laboratory InstructionKeywords (Subject):
Crystals / CrystallographyCiting Articles
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This article has been cited by 1 ACS Journal articles (1 most recent appear below).
Fourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram
Quentin S. HanleyJournal of Chemical Education2012 Article ASAPFourier Transforms Simplified: Computing an Infrared Spectrum from an Interferogram
Quentin S. HanleyJournal of Chemical Education2012 Article ASAPFourier transforms are used widely in chemistry and allied sciences. Examples include infrared, nuclear magnetic resonance, and mass spectroscopies. A thorough understanding of Fourier methods assists the understanding of microscopy, X-ray diffraction, ...
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- Received: August 03, 2009
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