A structural and theoretical investigation of equatorial cis and trans uranyl phosphinimine and uranyl phosphine oxide complexes UO2Cl2(Cy3PNH)2 and UO2Cl2(Cy3PO)2.
Inorg Chem
; 46(12): 4868-75, 2007 Jun 11.
Article
en En
| MEDLINE
| ID: mdl-17506548
ABSTRACT
Phosphinimine ligands (Cy3PNH) readily react with UO2Cl2(THF)3 (THF=tetrahydrofuran) to give UO2Cl2(Cy3PNH)2, which contains strong U-N interactions and exists as cis and trans isomers in the solid and solution state. Solution NMR experiments and computational analysis both support the trans form as the major isomer in solution, although the cis isomer becomes more stabilized with an increase in the dielectric constant of the solvent. Mayer bond orders, energy decomposition analysis, and examination of the molecular orbitals and total electron densities support a more covalent bonding interaction in the U-NHPCy3 bond compared with the analogous bond of the related U-OPCy3 compounds.
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Banco de datos:
MEDLINE
Asunto principal:
Compuestos Organometálicos
/
Fosfinas
/
Uranio
Idioma:
En
Revista:
Inorg Chem
Año:
2007
Tipo del documento:
Article
País de afiliación:
Reino Unido