Ontology highlight
ABSTRACT:
SUBMITTER: Simo Padial J
PROVIDER: S-EPMC5603827 | biostudies-literature | 2017 Sep
REPOSITORIES: biostudies-literature
Simó Padial Joan J Poater Jordi J Nguyen D Thao DT Tinnemans Paul P Bickelhaupt F Matthias FM Mecinović Jasmin J
The Journal of organic chemistry 20170831 18
Energetically favorable cation-π interactions play important roles in numerous molecular recognition processes in chemistry and biology. Herein, we present synergistic experimental and computational physical-organic chemistry studies on 2,6-diarylanilines that contain flanking meta/para-substituted aromatic rings adjacent to the central anilinium ion. A combination of measurements of pK<sub>a</sub> values, structural analyses of 2,6-diarylanilinium cations, and quantum chemical analyses based on ...[more]