Inverted Tricoordinate Carbon

Research output: Contribution to journalArticlepeer-review

17 Citations (Scopus)


Eleven four-membered ring structures (C4, C4H+, C4H22+, C3BH, C3BH2+, C2B2H2, C3Be, C3BeH+, C2BBeH, C2Be2, and B4H2) are discussed in terms of stability properties associated with inverted tricoordinate carbons. These minimum energy structures have short distances between the bridgehead carbons, averaging 1.484 A (6-31G*), and short ring bonds, with average values for C-C, C-B, and C-Be bonds of 1.396, 1.487, and 1.576 A, respectively. The stabilities of these molecules result from four-center, two-electron (aromatic) π bonding and a nonbonding a HOMO between the bridgehead carbons. The Mulliken overlap population between these carbons ranges from -0.236 for C4H22+ to +0.495 for C2Be2. While there is no bridgehead-bridgehead bonding in C4H22+, there is in C2Be2. The beryllium isomers possess ionic character.

Original languageEnglish
Pages (from-to)5127-5129
Number of pages3
JournalJournal of the American Chemical Society
Issue number17
Publication statusPublished - 1986
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


Dive into the research topics of 'Inverted Tricoordinate Carbon'. Together they form a unique fingerprint.

Cite this