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Heavy Element π Donation Is Not Less Effective
Author(s) -
Kapp Jürgen,
Schade Christian,
ElNahasa Ahmed M.,
von Ragué Schleyer Paul
Publication year - 1996
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199622361
Subject(s) - pnictogen , planarity testing , lone pair , chemistry , chalcogen , ab initio , main group element , group (periodic table) , computational chemistry , crystallography , halogen , physics , molecule , organic chemistry , superconductivity , transition metal , alkyl , quantum mechanics , catalysis
The inherent stabilizing effects of lone pair substituents from the first five rows of the periodic table on carbocations depend primarily on the group rather than on the period, judging from high‐level ab initio computations (QCISD(T)/DZ + + PP// MP2(fc)/DZ+P). When planarity is imposed on the pnictogen compounds, the stabilization energies from group 15 substituents are almost constant (ca. 95 kcal mol −1 from N to Sb, based on CH 3 + ) and exceed the stabilization energies of chalcogens (60‐66 kcal mol −1 , O