ISSN:
1042-7163
Keywords:
Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Ion-molecule reaction pathways between H2SiNH2+ and NH3 have been examined by ab initio quantum chemical techniques using polarized split-valence basis sets and including the effects of electron correlation and zero-point energy corrections. The proton transfer (PT), hydrogen abstraction (HA), electron transfer (ET), and hydride transfer (HT) processes are thermodynamically unfavorable. The eliminative addition (EA) processes, in spite of their exothermicities, are also unfavorable, because they have activation barriers. The ammonia exchange (AE) process is most likely to occur among the reactions between H2SiNH2+ and NH3 without an activation barrier. Therefore, H2SiNH2+ indicates apparent unreactivity toward NH3. This agrees well with the experimental result reported by Haller that SiH4N+ apparently does not react with NH3.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hc.520050520
