Evaluation of the Agostic and Syndetic Donations in Aromatic Ring Agostic Interactions Involved in Heteroatom Ligand-Directed C-H Bond Activation

Harrison, JA; Nielson, AJ; Sajjad, MA; Schwerdtfeger, P

Harrison, JA; Nielson, AJ (reprint author), Massey Univ Auckland, Sch Nat & Computat Sci, Chem, North Shore Mail Ctr, Private Bag 102904, Auckland 1603, New Zealand.

ORGANOMETALLICS, 2019; 38 (9): 1903

Abstract

Natural bond orbital (NBO) analysis obtained from density functional theory (DFT) calculations was used to show whether syndetic donation (p or s-elec......

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