Stable Configuration of B4+ Molecule and Structure of Electron
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Graphical Abstract
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Abstract
An ab initio study is made of the Jahn Teller distortion of the B + 4 molecule using quadratic configuration interaction with all single and double substitutions (QCISD) and 6 311G * basis set. For this cation, the D 2h (rectangle and rhombus), D 4h , C 2v (planar and non planar), D ∞h structure are full optimized and analyzed using energies, bond lengths and angles, harmonic frequencies and group theory. The present results predict a new stationary point structure of...
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