Quantum entanglement in manganese(II) hexakisimidazole nitrate: on electronic structure imaging - A polarized neutron diffraction and DFT study

Abstract

Quantum entanglement has been visualized for the first time, in view of the spin density distribution and electronic structure for manganese in manganese(II)hexakisimidazole nitrate. Using polarized neutron diffraction and density functional theory modelling we have found for the complex, which crystallizes in the R3̄ spacegroup, a = b = 12.4898(3) Å, c = 14.5526(4) Å, α = γ = 90°, β = 120°, Z = 3, that spatially antisymmetric and spatially symmetric shaped regions of negative spin density, in the spin density map for manganese, are a result of quantum entanglement of the high spin d5 configuration due to dative imidazole- manganese π- donation and σ-bonding interactions respectively. We have found leakage of the entangled states for manganese observed as regions of positive spin density with spherical (3.758(2) μB) and non-spherical (1.242(3) μB) contributions. Our results, which are supportive of Einstein's theory of general relativity, provide evidence for the existence of a black hole spin density distribution at the origin of an electronic structure and also address the paradoxical views of entanglement and quantum mechanics. We have also found the complex, which is an insulator, to be suitable for spintronic studies.