Electric field-driven acid-base transformation: proton transfer from acid(HBr/HF) to base(NH3/H2O)

The proton-transfer between ammonia/water and HF/HBr without and with the stimulus of external electric fields( E ext ) was investigated with the ab initio calculations. When external electric field is applied, the proton transfer occurs, resulting in ion-paired H 4 N + X - and H 3 O + X - (X=Br and...

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Veröffentlicht in:Chemical research in Chinese universities 2015-06, Vol.31 (3), p.418-426
Hauptverfasser: Liang, Hailong, Chai, Baojie, Chen, Guanghui, Chen, Wei, Chen, Sheng, Xiao, Hailan, Lin, Shujuan
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Sprache:eng
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