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Author(s) -
Rasmussen Danne R.,
Radom Leo
Publication year - 2000
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/1521-3765(20000703)6:13<2299::aid-chem2299>3.0.co;2-b
Subject(s) - cover (algebra) , lone pair , molecular orbital , ab initio , carbon fibers , ab initio quantum chemistry methods , carbon atom , computational chemistry , crystallography , chemistry , atom (system on chip) , proton , physics , chemical physics , materials science , molecule , quantum mechanics , ring (chemistry) , organic chemistry , computer science , engineering , mechanical engineering , composite number , composite material , embedded system
The cover picture shows the highest occupied molecular orbital of hemispiro[2.2]octaplane, which is a lone pair at the central carbon atom. This is responsible for the remarkably high basicity (greater than that for “proton sponge”) predicted for hemispiro[2.2]octaplane and related hemialkaplanes (depicted around the edges). The structures and properties predicted by ab initio molecular orbital calculations for these novel hydrocarbons are described in detail by D. R. Rasmussen and L. Radom on p. 2470 ff.