|
Eur. J. Mass Spectrom. 3, 331 - 338 (1997) |
|
Carbon phosphide anions | ||
Keith Fisher,* Ian Dance and Gary Willett |
||
ABSTRACT: | ||
Stable carbon phosphide anions have been prepared by the reaction of small carbon anions (Cn n = 39) with gaseous P4. The Cn anions, produced by laser ablation, were trapped and reacted in a Fourier transform ion cyclotron resonance mass spectrometer. The Compositions of the anions formed were CnP, CnP2, C4P4, CnP5. All the anions for n = 39 are covered in this paper and have been investigated theoretically using density functional calculations, incorporating gradient corrections and numerical basis sets. The [CnP] and [CnP2] anions are calculated to be linear, with the P atoms at one and both ends of the Cn chain, respectively. The [C4P4] anion is the only ion containing four P atoms, and never has more than minor intensity; three structures close in energy are calculated for [C4P4], with the most stable possessing a CP4 mononocycle at the end of the C4 chain. The [CnP5] anions observed when n = 4, 6 or 8 have a lowest energy structure with one phosphorus atom at one end of the chain and a P4 ring at the other end. | ||
Keywords: carbon anions, phosphorus, laser ablation, Fourier transform ion cyclotron resonance, density functional calculations |
© IM Publications
Any problems? E-mail .