Neutral Intramolecular Hydrogen-Bonded Bases

Croatica Chemica Acta

Lis, Lev²  Kass, Steven R.²  Tian, Zhixin²  Fattahi, Alireza¹ 

[1] Department of Chemistry, Sharif University of Technology, Tehran, Iran;Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA

关键词: super bases;    gas-phase basicity;    hydrogen-bonding;    computations;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

B3LYP/aug-cc-pVDZ computations were carried out on polyamines with up to seven amino groups. The gas-phase proton affinities of these compounds are 219.6 (1-BuNH 2 ), 238.6 (H 2 NCH 2 CH 2 CH 2 CH 2 NH 2 ), 252.8 [(H 2 NCH 2 CH 2 CH 2 )...

【 授权许可】

Unknown