Do All-Metal Antiaromatic Clusters Exist?
- 25 October 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 125 (46) , 13930-13931
- https://doi.org/10.1021/ja0361392
Abstract
As shown by detailed nucleus-independent chemical shift (NICS) analyses of the contributions of each molecular orbital, the very recently reported gas-phase all-metal Al4Li3- anion and its relatives (Kuznetsov, A.E.; Birch, K.A.; Boldyrev, A.I.; Li, X.; Zhai, A.I.; Wang, L.S. Science 2003, 300, 622) are aromatic rather than antiaromatic. The paratropic (antiaromatic) four-π-electron contribution is overcome by the predominating diatropic effects of σ aromaticity. However, true antiaromatic all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.This publication has 18 references indexed in Scilit:
- Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical ShiftsThe Journal of Physical Chemistry A, 2003
- All-Metal Antiaromatic Molecule: Rectangular Al 4 4- in the Li 3 Al 4 - AnionScience, 2003
- Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- StructureJournal of the American Chemical Society, 2002
- Magnetic-Shielding Calculations on Al42- and Analogues. A New Family of Aromatic Molecules?The Journal of Physical Chemistry A, 2001
- Observation of All-Metal Aromatic MoleculesScience, 2001
- An Evaluation of the Aromaticity of Inorganic Rings: Refined Evidence from Magnetic PropertiesJournal of the American Chemical Society, 1997
- Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculationsThe Journal of Chemical Physics, 1997
- Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity ProbeJournal of the American Chemical Society, 1996
- The First Octahedral Zintl Ion: Sn as a Ligand in [Sn6{Cr(CO)5}6]2−Angewandte Chemie International Edition in English, 1993
- Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculationsJournal of the American Chemical Society, 1990