Ontology highlight
ABSTRACT:
SUBMITTER: Beaumier EP
PROVIDER: S-EPMC7201867 | biostudies-literature | 2020 Apr
REPOSITORIES: biostudies-literature
Beaumier Evan P EP Gordon Christopher P CP Harkins Robin P RP McGreal Meghan E ME Wen Xuelan X Copéret Christophe C Goodpaster Jason D JD Tonks Ian A IA
Journal of the American Chemical Society 20200415 17
Although there are myriad binding modes of heterocumulenes to metal centers, the monometallic κ<sup>2</sup>-ECE (E = O, S, NR) coordination mode has not been reported. Herein, the synthesis, isolation, and physical characterization of Cp<sub>2</sub>Ti(κ<sup>2</sup>-<sup><i>t</i></sup>BuNCN<sup><i>t</i></sup>Bu) (<b>3</b>) (Cp = cyclopentadienyl, <sup><i>t</i></sup>Bu = <i>tert</i>-butyl), a strained 4-membered metallacycle bearing a free carbene, is described. Computational (DFT, CASSCF, QT-AIM, ...[more]