INDO calculations on the [Be3O(HCO2)3]+ ion configuration

✍ Scribed by Viktor A. Sipachev; Igor' P. Gloriozov

• Publisher: John Wiley and Sons
• Year: 1979
• Tongue: English
• Weight: 188 KB
• Volume: 14
• Category: Article
• ISSN: 1076-5174
• DOI: 10.1002/oms.1210140109

✦ Synopsis

SCF-MO-LCAO-INDO

cdculaüons show that the total energy of the [Be30(HCOz)3]' ion, which iS the base peak in the mass spectra of the beryllium p4-oxoformato compiex, depends on íhe deviation of the ion eonfiguration fmm p l d t y . The planar form is shown to have the lowest energy. The results obtained c o n h the suggation that stenc interactions are the major factor governing fragmentations of berylüum p,-oxocarboxylato complexes under electron impact.