TY - JOUR
T1 - Six-coordinate Group 13 complexes
T2 - the role of d orbitals and electron-rich multi-center bonding
AU - Goesten, Maarten G.
AU - Fonseca Guerra, Célia
AU - Kapteijn, Freek
AU - Gascon, Jorge
AU - Bickelhaupt, F. Matthias
PY - 2015/10/1
Y1 - 2015/10/1
N2 - Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.
AB - Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.
KW - bond theory
KW - coordination modes
KW - hypervalent compounds
KW - main group chemistry
KW - molecular orbital theory
UR - http://www.scopus.com/inward/record.url?scp=85027943263&partnerID=8YFLogxK
U2 - 10.1002/anie.201504864
DO - 10.1002/anie.201504864
M3 - Article
C2 - 26266966
AN - SCOPUS:85027943263
SN - 1433-7851
VL - 54
SP - 12034
EP - 12038
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 41
ER -