Planar tetracoordinate carbon in boron-based cluster CB4S6 stabilized by peripheral bridging sulfur atoms
Abstract
The global minimum CB4S6, featuring a planar tetracoordinate carbon within a B4 ring, is designed by replacing two peripheral sulfur atoms with S–S bonds in CB4S4. This modification is essential for the stability of CB4S6. Moreover, the octet rule and double aromaticity further stabilize its planar tetracoordinate carbon configuration.
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