Substituent Effects on 31P NMR Chemical Shifts and 1JP-Se of triarylselenophosphates

The effect of electron-withdrawing (EW) and electron-releasing (ER) substituents on the 31 P NMR chemical shifts and the structural parameters of a series of tris-(p-X-aryl)selenophosphates is reported in this article. Similarly to O-aryl phosphates and O-aryl thiophosphates, EW groups attached to a...

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Bibliographic Details
Published in:Phosphorus, sulfur, and silicon and the related elements sulfur, and silicon and the related elements, 2010-04, Vol.185 (4), p.772-784
Main Authors: Domínguez, Zaira, Hernández, Javier, Silva-Gutiérrez, Lorena, Salas-Reyes, Magali, Sánchez, Mario, Merino, Gabriel
Format: Article
Language:English
Subjects:
DFT calculations
NMR
Nuclear magnetic resonance
P NMR
selenophosphates
solvent effect
Studies
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Summary:The effect of electron-withdrawing (EW) and electron-releasing (ER) substituents on the 31 P NMR chemical shifts and the structural parameters of a series of tris-(p-X-aryl)selenophosphates is reported in this article. Similarly to O-aryl phosphates and O-aryl thiophosphates, EW groups attached to aromatic rings induce a shielding effect on the 31 P NMR signal. After a detailed experimental and theoretical analysis, we confirmed that the selenium atom is the main part responsible for the charge density transfer toward phosphorus through a back-bonding effect. The obtained 1 J P-Se values for the complete series agree with this observation. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.
ISSN:1042-6507
1563-5325
DOI:10.1080/10426500902953979