On the existence of FN5, a theoretical and experimental study
…, MS Gordon, K Christe, WW Wilson, A Vij…
文献索引：Netzloff, Heather M.; Gordon, Mark S.; Christe, Karl; Wilson, William W.; Vij, Ashwani; Vij, Vandana; Boatz, Jerry A. Journal of Physical Chemistry A, 2003 , vol. 107, # 34 p. 6638 - 6647
The possible existence of FN5 was studied by ab initio electronic structure theory. Calculations were carried out at the MP2/6-31+ G (d) and CCSD (T)/aug-cc-pVDZ levels of theory for the N5+ AsF6-ion pair and its decomposition to FN5 and AsF5. Six different vibrationally stable isomers of FN5 were identified. Intrinsic reaction coordinate (IRC) and dynamic reaction path (DRP) calculations were used to study the isomerization of FN5 ...
