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Chemistry · L5 · Jahn–Teller Distortion Pathway (d⁹ Cu²⁺)

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Decision flow from an asymmetrically-filled eg set to tetragonal elongation and net electronic stabilization, illustrated for octahedral Cu²⁺ (d⁹).

by @openstemUpdated Chemistry
Octahedral d⁹ ione.g. Cu²⁺eg set: 3 e⁻ in 2 orbitalsIs the eg setasymmetrically occupied?Jahn–Teller activeOctahedron is NOTan energy minimumRegular octahedronNo distortion driving forceTetragonal elongation:axial bonds lengthen (~2.4 Å)equatorial bonds shorten (~2.0 Å)dz² drops below dx²−y²dxz, dyz drop slightly below dxyNet electronic energy lowered:Jahn–Teller stabilisationYes — d⁹, high-spin d⁴, low-spin d⁷No — e.g. d³, d⁸, low-spin d⁶

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