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Inside Cover: Probing a General Rule towards Thermodynamic Stabilities of Mono BN‐doped Lower Polyenes (Chem. Asian J. 5/2017)
Author(s) -
Rouf Alvi Muhammad,
Wu Jingjing,
Zhu Jun
Publication year - 2017
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201700042
Subject(s) - heteroatom , methylene , chemical stability , chemistry , doping , cover (algebra) , computational chemistry , stability (learning theory) , thermodynamics , materials science , organic chemistry , physics , computer science , ring (chemistry) , mechanical engineering , machine learning , optoelectronics , engineering
A general rule towards thermodynamic stabilities of mono BN‐doped lower polyenes is proposed based on high‐level calculations, which could help experimentalists to synthesize isomers with particular thermodynamic stability. Specifically, isomers with terminal nitrogen and direct B−N bond (illustrated on the bottom) are found to be the most stable ones whereas highly destabilized isomers (illustrated on the top) are those with one terminal methylene group and one terminal heteroatom. More information can be found in the Full Paper by Jun Zhu et al. on page 605 in Issue 5, 2017 (DOI: 10.1002/asia.201601753).