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Molecular Double‐Bond Covalent Radii for Elements Li–E112
Author(s) -
Pyykkö Pekka,
Atsumi Michiko
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200901472
Subject(s) - homonuclear molecule , group (periodic table) , covalent bond , bond length , crystallography , triple bond , chemistry , single bond , double bond , molecule , crystal structure , organic chemistry
The previous systems of triple‐bond and single‐bond self‐consistent, additive covalent radii, R (AB)= r (A)+ r (B), are completed with a fit for σ 2 π 2 double‐bonds.The primary bond lengths, R , are taken from experimental or theoretical data corresponding to chosen group valencies. All r (E) values are obtained from the same, self‐consistent fit. Many of the calculated primary data came from ECH 2 and HECH 2 models. Homonuclear LEEL, formaldehyde‐type Group 14–Group 16 and open‐shell, X 3 Σ Group‐16 dimer data are included. The standard deviation for the 316 included data points is 3 pm.
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