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The P 4 ···Li + Ion in the Gas Phase: A Planetary System

2000; American Chemical Society; Volume: 122; Issue: 18 Linguagem: Inglês

10.1021/ja9937324

1943-2984

J.‐L. M. Abboud, Ibón Alkorta, Juan Z. Dávalos, J. Gál, Marta Herreros, Pierre‐Charles Maria, Otília Mó, Marı́a Teresa Molina, Rafael Notario, Manuel Yáñez,

Advanced Frequency and Time Standards

Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT ICR) has revealed the existence of the P4Li+ ion as a stable species in the gas phase. High-level ab initio calculations show that P4Li+ appears as a "planetary system" wherein the lithium cation can easily move around the P4 moiety along paths (or "orbits") connecting the points above the middle points of the P−P edges with points above the center of the PPP faces, the movement toward the corners of the tetrahedron being the less favored. Due to symmetry, this orbiting is 4-fold degenerate.