Calculation of the equilibrium conformation of HN3

✍ Scribed by S.W. Harrison; C.R. Fischer; P.J. Kemmey

• Publisher: Elsevier Science
• Year: 1975
• Tongue: English
• Weight: 263 KB
• Volume: 36
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(75)87022-9

✦ Synopsis

An ab initio LCAO hI0 SCF series of calculstions has been carried out on the around state of HN3 for a number of different geometries. The results indicate that the N3 group is non-iinear with an N-N-N bond angle n-r 8'. A re-analysis of infrared and microwave data may be required since previous analyses have been based on a linear N3 geometry.