Planar pentacoordinate carbon in CGa5+ derivatives

Sudip Pan; José Luis Cabellos; Mesías Orozco-Ic; Pratim K. Chattaraj; Lili Zhao; Gabriel Merino

doi:10.1039/c8cp01009a

Planar pentacoordinate carbon in CGa₅⁺ derivatives

Sudip Pan, José Luis Cabellos, Mesías Orozco-Ic, Pratim K. Chattaraj, Lili Zhao, Gabriel Merino

School of Chemistry and Moleculai Engineering

Research output: Contribution to journal › Article › peer-review

46 Scopus citations

Abstract

We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl₅⁺, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa₅⁺, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in the ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa₄Be, CGa₃Be₂^-, CGa₂Be₃^2-, and CGaBe₄^3- clusters and their corresponding lithium salts have a ppC.

Original language	English
Pages (from-to)	12350-12355
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	20
Issue number	18
DOIs	https://doi.org/10.1039/c8cp01009a
State	Published - 2018

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title = "Planar pentacoordinate carbon in CGa5+ derivatives",

abstract = "We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl5+, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa5+, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in the ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa4Be, CGa3Be2-, CGa2Be32-, and CGaBe43- clusters and their corresponding lithium salts have a ppC.",

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T1 - Planar pentacoordinate carbon in CGa5+ derivatives

AU - Pan, Sudip

AU - Cabellos, José Luis

AU - Orozco-Ic, Mesías

AU - Chattaraj, Pratim K.

AU - Zhao, Lili

AU - Merino, Gabriel

N1 - Publisher Copyright: © the Owner Societies 2018.

PY - 2018

Y1 - 2018

N2 - We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl5+, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa5+, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in the ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa4Be, CGa3Be2-, CGa2Be32-, and CGaBe43- clusters and their corresponding lithium salts have a ppC.

AB - We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl5+, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa5+, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in the ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa4Be, CGa3Be2-, CGa2Be32-, and CGaBe43- clusters and their corresponding lithium salts have a ppC.

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VL - 20

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EP - 12355

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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ER -

Planar pentacoordinate carbon in CGa₅⁺ derivatives

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