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Influence of Substituents on the Electronic Structure of Mono- and Bis(phosphido) Thorium(IV) Complexes.
Rungthanaphatsophon, Pokpong; Duignan, Thomas J; Myers, Alexander J; Vilanova, Sean P; Barnes, Charles L; Autschbach, Jochen; Batista, Enrique R; Yang, Ping; Walensky, Justin R.
Afiliación
  • Rungthanaphatsophon P; Department of Chemistry , University of Missouri , Columbia , Missouri 65211 , United States.
  • Duignan TJ; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
  • Myers AJ; Department of Chemistry , University at Buffalo, State University of New York , Buffalo , New York 14260 , United States.
  • Vilanova SP; Department of Chemistry , University of Missouri , Columbia , Missouri 65211 , United States.
  • Barnes CL; Department of Chemistry , University of Missouri , Columbia , Missouri 65211 , United States.
  • Autschbach J; Department of Chemistry , University of Missouri , Columbia , Missouri 65211 , United States.
  • Batista ER; Department of Chemistry , University at Buffalo, State University of New York , Buffalo , New York 14260 , United States.
  • Yang P; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
  • Walensky JR; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
Inorg Chem ; 57(12): 7270-7278, 2018 Jun 18.
Article en En | MEDLINE | ID: mdl-29855186
A series of metallocene thorium complexes with mono- and bis(phosphido) ligands have been investigated with varying hues: (C5Me5)2Th(Cl)[P(Mes)2] (Mes = mesityl = 2,4,6-(CH3)3C6H2; dark red-purple), (C5Me5)2Th[P(Mes)(CH3)]2 (dark red-purple), (C5Me5)2Th(CH3)[P(Mes)2] (dark red-purple), (C5Me5)2Th(CH3)[P(Mes)(SiMe3)] (orange), (C5Me5)2Th(Cl)[P(Mes)(SiMe3)] (orange), (C5Me5)2Th[P(Mes)(SiMe3)]2 (orange), and (C5Me5)2Th[PH(Mes)]2 (pale yellow). While all of these complexes bear a mesityl group on phosphorus, the electronic structure observed differs depending on the other substituent (mesityl, methyl, trimethylsilyl, or hydrogen). This sparked an investigation of the electronic structure of these complexes using 31P NMR and electronic absorption spectroscopy in concert with time-dependent density functional theory calculations.

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos