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Structure of the polyvinylpyrrolidone-hydrogen peroxide complex [dataset] Open Access

The structure of the polyvinylpyrrolidone-hydrogen peroxide complex can be understood by reference to the co-crystal structure of hydrogen peroxide with a two-monomer unit model compound, bisVPĀ·2H2O2. Crystallization at low peroxide concentration gives mixed hydrates in which water selectively substitutes to varying degree into one of the two independent hydrogen peroxide binding sites. The hydrogen bonding structures found in the co-crystals in conjunction with solid state 13C NMR and IR spectroscopic data, and DFT calculations on four- and six-monomer unit sections of PVP models gives considerable insight into the structure and properties of this commercially important complex.

Descriptions

Resource type
Dataset
Contributors
Contact person: Steed, Jonathan 1
Data curator: Steed, Jonathan 1
Creator: Chambers, Luke 1
Data collector: Chambers, Luke 1
Creator: Fox, Mark 1
Data collector: Fox, Mark 1
1 Durham University, UK
Funder
Engineering and Physical Sciences Research Council
Ashland
Research methods
IR spectroscopy Solid State NMR spectroscopy DFT calculations
Other description
Keyword
Peroxydone
PVP
Subject
Location
Language
Cited in
Identifier
ark:/32150/r2k06987519
doi:10.15128/r2k06987519
Rights
Creative Commons Attribution 4.0 International (CC BY)

Publisher
Durham University
Date Created
6/10/21

File Details

Depositor
J.W. Steed
Date Uploaded
Date Modified
8 October 2021, 10:10:52
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Characterization
File format: zip (ZIP Format)
Mime type: application/zip
File size: 628528
Last modified: 2021:10:08 10:09:58+01:00
Filename: Peroxydone_Data.zip
Original checksum: 8c1bda362d217ddf7524db9c5a7a8923
Activity of users you follow
User Activity Date
User J.W. Steed has updated Underlying data for Structure of the polyvinylpyrrolidone-hydrogen peroxide complex 22 days ago
User J.W. Steed has updated Underlying data for Structure of the polyvinylpyrrolidone-hydrogen peroxide complex 22 days ago
User J.W. Steed has deposited Peroxydone Data.zip 22 days ago