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Stabilization of Linear C(3) by Two Donor Ligands: A Theoretical Study of L‐C(3)‐L (L=PPh(3), NHC(Me), cAAC(Me))

Quantum chemical studies using density functional theory and ab initio methods have been carried out for the molecules L‐C(3)‐L with L=PPh(3) (1), NHC(Me) (2, NHC=N‐heterocyclic carbene), and cAAC(Me) (3, cAAC=cyclic (alkyl)(amino) carbene). The calculations predict that 1 and 2 have equilibrium geo...

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Detalles Bibliográficos
Autores principales:	Gorantla, Sai Manoj N. V. T., Pan, Sudip, Mondal, Kartik Chandra, Frenking, Gernot
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2020
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7702110/ https://www.ncbi.nlm.nih.gov/pubmed/32743817 http://dx.doi.org/10.1002/chem.202003064

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