Details

Autor(en) / Beteiligte

• 황태규(Hwang, Tae-Kyu)
• 박성우(Park, Sung-Woo)
• 윤영삼(Yoon, Young-Sam)
• 이성렬(Lee, Sung-Yul)

Titel

Stability of the Zwitterionic form of 4-aminopyrimidine HCl and -HBr Complexes: Computational Study

Ist Teil von

• 대한화학회지, 2009, 53(2), , pp.133-136

Ort / Verlag

대한화학회

Erscheinungsjahr

2009

Quelle

EZB Electronic Journals Library

Beschreibungen/Notizen

• We present calculations for the 4-aminopyrimidine (4AP) – HCl and –HBr complexes. We predict that the charge separated (zwitterionic) form [4APH+ – Cl‒] is not stable, but that [4APH+ – Br‒] is stable enough for experimental detection in gas phase at low temperatures. The latter observation is attributed to smaller dissociation energy of HBr compared with HCl, and to “solvation” of HBr by the amino group in 4AP. KCI Citation Count: 0