Linear Trimer Formation by Three-Center-Four-Electron Bonding in RuP

Abstract

In molecules like hydrogen, most chemical bonds are formed by sharing two electrons from each atom in the bonding molecular orbital (two-center-two-electron (2c2e) bonding). There are, however, different kinds of chemical bonding. The I3- molecule, for example, is noteworthy because three iodine atoms are linearly united by sharing four electrons (three-center-four-electron (3c4e) bonding). Some inorganic solids undergo phase transitions that result in the formation of "molecules" in their crystalline frameworks, which are often accompanied by dramatic changes in physical properties; the metal-to-insulator transition (MIT) in vanadium dioxide, for example, occurs with the formation of dimer molecules with 2c2e bonding. We repot the creation of a linear ruthenium trimer with 3c4e bonding in ruthenium monopnictide at its MIT. Charge transfer from polymerized phosphorous to ruthenium produces this unusual molecule, with all conduction electrons trapped by the bonding molecular orbital. Our results demonstrate that molecules are crucial even in solid crystals as they impact their electronic properties.

arXiv comment12 pages, 9 figures, 3 Tables

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Cited by in corpus (6)

• Observation of local atomic displacements intrinsic to the double zigzag chain structure of 1T-MTe2 (M = V, Nb, Ta)
• Role of Local Ru Hexamers in Superconductivity of Ruthenium Phosphide
• Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in a Prototypical Metal Oxide, λ-RhO${}_2$
• Zigzag chain order of LiVSe${}_2$ developing away from the vanadium trimer phase transition boundary
• Electronic Self-Organization in the β-Pyrochlore Oxide CsW2O6
• Reexamination of the charge-ordered dimer pattern in the spinel compound CuIr2S4 using single-crystal synchrotron x-ray diffraction