Structure and Properties of Li+(Cryptand [2.1.1])e-, an Electride with a

J. Am. Chem. Soc. 1997, 119, 3765-3772

3765

Structure and Properties of Li+(Cryptand [2.1.1])e-, an Electride with a 1D “Spin-Ladder-like” Cavity-Channel Geometry Rui H. Huang, Michael J. Wagner,† Deborah J. Gilbert,‡ Kerry A. Reidy-Cedergren, Donald L. Ward, Margaret K. Faber,§ and James L. Dye* Contribution from the Department of Chemistry and Center for Fundamental Materials Research, Michigan State UniVersity, East Lansing, Michigan 48824 ReceiVed NoVember 25, 1996X

Abstract: The title electride crystallizes in the orthorhombic space group Pbcn with a ) 10.060(4) Å, b ) 23.134(8) Å, c ) 8.380(4) Å, and z ) 4. A second powdered phase of unknown structure, but with rather different properties, forms when rapidly precipitated “seed” powder is used. The crystalline phase contains electron-trapping cavities, each of approximate diameter 4.3 Å, connected in zigzag fashion along the c axis by rather open channels of minimum diameter 2.4 Å (center-to-center distance 7.9 Å). Each cavity is also connected to next-neighbor cavities, 8.2 Å away along c, by channels of diameter 1.5 Å. Inter-chain channels are