Tris(benzophenoneimino)phosphane and related compounds

Pikma, Marta-Lisette; Lõkov, Märt; Tshepelevitsh, Sofja; Saame, Jaan; Haljasorg, Tõiv; Toom, Lauri; Selberg, Sigrid; Leito, Ivo; Kütt, Agnes
NameSizeDescription
README.txt1.176Kb
XRD.zip6.716MbMonocrystal XRD data
NMR.zip143.0MbNMR files
Turbomole_files.zip1.991GbGas-phase geometry optimization and frequency calculation files
COSMO_files.zip30.90MbCOSMO files for related compounds (and correlation compounds)
Correlation_compounds.xlsx41.14KbCorrelation file for pKaH values
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Date
2023
URI
https://datadoi.ee/handle/33/508
https://doi.org/10.23673/re-379
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Abstract
The dataset includes files supporting the article named "Tris(benzophenoneimino)phosphane and related compounds". Monocrystal XRD data, calculated .cosmo files, calculated pKaH values for related and correlation compounds, gas-phase geometry optimization and frequency calculation files, and NMR files are given.
Keyword
Monocrystal XRD; Phosphane; Phosphazene; Phosphonium ylide; COSMO-RS; NMR
Item type
info:eu-repo/semantics/dataset; Text
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Except where otherwise noted, this item's license is described as info:eu-repo/semantics/openAccess