Data supporting the publication: "Assignment of the vibrational spectra of diiron nonacarbonyl, Fe2(CO)9"

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README_Parker-Fe2CO9_dataset.txt (5.14 KB)
 1-Fe2CO9-spectra.zip (117.7 KB)
 2-Fe2CO9-GAUSSIAN.zip (96.14 KB)
 3-Fe2CO9-CASTEP.zip (140.12 KB)
 Fe2CO9.jpg (122.86 KB)

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Date

2022-03

Authors

Parker, Stewart

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Description

Infrared, Raman and INS spectra of Fe2(CO)9 and computational studies using Gaussian09 and CASTEP (v20). All data is present as ASCII. The vibrational spectra may be visualised using any standard program e.g. Excel or Origin.

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Citation

DOI

http://dx.doi.org/10.5286/edata/752

Licence

Creative Commons Attribution 4.0 International

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https://creativecommons.org/licenses/by/4.0/

Funders

Science and Technology Facilities Council

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https://doi.org/10.3390/physchem2020008

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