✦ LIBER ✦
A molecular orbital description of aromatic cluster ions produced in continuous-flow fast atom bombardment
✍ Scribed by V. M. Jarvis; T. F. Moran
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 786 KB
- Volume
- 30
- Category
- Article
- ISSN
- 1076-5174
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✦ Synopsis
Abstract
Cluster ions from the continuous‐flow fast atom bombardment of several pure, liquid aromatics were examined. Most of the aromatics cluster as (M)~n~^+^; however, aromatic bases such as pyridine and aniline also form (M)~n~H^+^ ions. The abundance of both (M)~n~^+^ and (M)~n~H^+^ cluster ions decreases rapidly as n increases. The semi‐empirical molecular orbital PM3 method was used to examine energetics of cluster ion formation, binding energies of several aromatic dimer ions and structures of stable cluster ions observed in the desorption process.