-transparent.png){kind=logo}
Planar pentacoordinate carbon atoms embedded in a metallocene framework. 2016
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China. yhdd@jlu.edu.cn.
Viable planar pentacoordinate carbon (ppC) systems with a ppC bonded to a transition metal and embedded in a metallocene framework are reported. Our detailed global minima search shows that CAl4MX2 (M = Zr and Hf; X = F-I and C5H5) clusters with ppCs are appropriate candidates for experimental realization in the gas phase. The fulfillment of the 18 electron rule and electron delocalization is found to be crucial for the stabilization of these ppC arrangements.
| UI | MeSH Term | Description | Entries |
|---|
Related Publications
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
November 2021,
Inorganic chemistry,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
November 2020,
Chemical communications (Cambridge, England),
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
October 2018,
RSC advances,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
May 2018,
Physical chemistry chemical physics : PCCP,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
August 2008,
Journal of the American Chemical Society,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
August 2023,
Physical chemistry chemical physics : PCCP,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
June 2016,
The Journal of chemical physics,
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
July 2020,
Chemical communications (Cambridge, England),
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
December 2010,
Chemical communications (Cambridge, England),
Zhong-Hua Cui, and
Valentin Vassilev-Galindo, and
José Luis Cabellos, and
Edison Osorio, and
Mesías Orozco, and
Sudip Pan, and
Yi-Hong Ding, and
Gabriel Merino
April 2021,
RSC advances,
