Turning a New Leaf on Metal-TMC Chemistry: Ni(II)(TMC) Acetylides.
Inorg Chem
; 54(20): 10058-64, 2015 Oct 19.
Article
en En
| MEDLINE
| ID: mdl-26414398
ABSTRACT
Novel [Ni(TMC)C≡CY](+)-type compounds 1-4 [TMC = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane; Y = SiMe3 (1), Si(i)Pr3 (2), Ph (3), and C2H (4)] have been synthesized and characterized. Single-crystal X-ray diffraction studies revealed that these compounds adopt a distorted square-pyramidal geometry, with the acetylide ligand occupying the apical position and a RSRS isomer for the TMC ligand. The room temperature magnetic properties of 1-4 are consistent with an S = 1 ground state, as corroborated by CASSCF and density functional theory calculations, which indicate that the singly occupied molecular orbitals are d(z(2)) and d(x(2)-y(2)).
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1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Inorg Chem
Año:
2015
Tipo del documento:
Article
País de afiliación:
Estados Unidos