An electride with a large six-electron ring

  title={An electride with a large six-electron ring},
  author={Michael J. Wagner and Rui Huang and Judith L. Eglin and James L. Dye},
ELECTRIDES are crystalline salts that contain complexed alkali metal cations whose charge is balanced by trapped electrons1. Theory2,3 and experiment4,5 indicate that the excess electron distribution is concentrated in cavities and channels formed by close-packing of the large complexed cations. Thus electrides might serve as models of a confined electron gas. Only three electrides have been structurally characterized previously6–8. Here we report the structure of a new electride, [Cs + (15C5… 

How Many Electrons Holds a Molecular Electride?

Electrides are very peculiar ionic compounds where electrons occupy the anionic positions. In a crystal lattice, these isolated electrons often group forming channels or surfaces, furnishing

How Many Electrons Does a Molecular Electride Hold?

This paper analyzes the non-nuclear attractor (NNA) and the surrounding region of nine molecular electrides to determine the number of isolated electrons held in the electride and classified them according to the most likely number of electrons that the NNA can find.

Electron Confinement in Channel Spaces for One-Dimensional Electride.

This study adds an unprecedented role to silicate apatite as a parent phase to a new 1D electride with a [La8Sr2(SiO4)6](4+):4e(-) configuration, and demonstrates an effective approach for developing new electrides with the assistance of computational design.

The ionic versus metallic nature of 2D electrides: a density-functional description.

D density-functional theory is used to investigate exfoliation and interlayer sliding of the only two experimentally known 2D electrides, and it is conjecture that the metallic nature of the interstitial electrons allows the atomic layers to move relative to each other without significantly altering the interlayer binding.

Theoretical Descriptors of Electrides.

Eight common theoretical descriptors of electrides are surveyed for their efficacy in identifying these materials and density-based descriptors such as the electron localization function (ELF) and localized-orbital locator (LOL) are shown to be the most consistently reliable.

Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation.

D density-functional theory is used to construct thermodynamic cycles for the alkali metal-ligand complexes, highlighting the energy changes that enable alkalide and electride formation.

On the electrostatic nature of electrides.

The present study suggests the criteria for ligands to achieve thermally stable organic electrides and characterization of the MESP minimum brings out the isotropic behavior of the trapped electrons as compared to the lone-pair minimum which is strongly directional.

Structure and electrons in mayenite electrides.

An accurate structural study for three members of the series of stable inorganic electrides, derived from nanoporous mayenite, from single-crystal low-temperature synchrotron X-ray diffraction is reported, showing the first experimental proof of their electride nature.

Density-functional description of electrides.

A systematic investigation of electrides with known crystal structures using semilocal density-functional theory is conducted, confirming the presence of localised interstitial electrons and demonstrating that these crystals display a characteristic electronic structure.



Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e-

ELECTRIDES are crystalline salts formed from complexed alkali-metal cations. There has been some dispute as to whether the valence electron from the alkali ion becomes a trapped interstitial anion1,2

Electrides: Ionic Salts with Electrons as the Anions

Electrides are ionic compounds that have alkali metal cations complexed by a crown ether or cryptand, with trapped electrons as counterions. The crystal structures and properties of two electrides

Structure of K+(cryptand[2.2.2J) electride and evidence for trapped electron pairs

Electrides are crystalline salts in which stoichiometric amounts of trapped or itinerant electrons serve as the anions1–8. The cations are alkali metal cations complexed by cyclic or bicyclic


A few decades ago the phrase organic materials brought to mind only insulating polymers. Organic metals and organic superconductors have dramatically changed that perception and opened the materials

250- and 9.5-GHz EPR studies of an electride and two alkalides

The EPR spectra of polycrystalline samples of Cs+( 18-crown-6)2X-, in which X- = e-, Na-, or Cs-, were studied at both X-band (9 GHz) and at 250 GHz. The high frequency affords much better g-factor

First crystalline electride revisited: new magnetic susceptibility studies of Cs+(18-crown-6)2e-

Samples of the electride, Cs + (18-crown-6) 2 e - , with the previously published structure, are antiferromagnetic with a maximum magnetic susceptibility at about 50 K and with a stoichiometric

Powder conductivities of three electrides

Electrical measurements on electride samples show a wide range of behavior in this novel class of compounds. K+(C222)e-, in which C222 represents cryptand [2.2.2], is highly conductive. Most of the

Spin Dynamics in Disordered TCNQ Salts

Abstract A segment model with c ∼ 0.10 weak exchanges among 1-c strong exchanges accounts for the static thermodynamics of several structurally disordered, complex TCNQ salts. The segment model is

Hopping conductivity in highly anisotropic systems

Abstract The temperature dependence of the phonon-activated d.c. conductivity is calculated for quasi one- and two-dimensional systems. For a one-dimensional system it is shown that the behaviour of

First electride crystal structure

Le compose Co + (18C6) 2 - cristallise dans le systeme monoclinique, groupe C2/c et sa structure est affinee jusqu'a R=0,058. Premiere determination directe d'une structure locale autour d'un