2011Annual Reports Section C (Physical Chemistry)Requires access

Recent advances in aromaticity and antiaromaticity in transition-metal systems

Timur R. Galeev, Alexander I. Boldyrev

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Abstract

The concept of aromaticity/antiaromaticity was recently extended to polynuclear transition metal compounds. In the current report we review recent advances made in the field of aromaticity and antiaromaticity in bare transition-metal clusters, clusters of transition metal suboxides and transition-metal clusters embedded in metalloorganic and inorganic compounds. We analyzed aromaticity in reported aromatic/antiaromatic species through the recently developed Adaptive Natural Density Partitioning method. We confirmed aromaticity in most cases though there are a few cases where no aromaticity or a different type of aromaticty was revealed by the AdNDP method. The peculiarity of aromaticity in polynuclear transition metal compounds is frequently its multifold (σ-, π-, and δ-) nature. Moreover, the presence of simultaneous multifold aromaticity/antiaromaticity leads to conflicting aromaticity which complicates assignment of aromaticity/antiaromaticity in such compounds.

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The concept of aromaticity/antiaromaticity was recently extended to polynuclear transition metal compounds. In the current report we review recent advances made in the field of aromaticity and antiaromaticity in bare transition-metal clusters, clusters of transition metal suboxides and transition-metal clusters embedded in metalloorganic and inorganic compounds. We analyzed aromaticity in reported aromatic/antiaromatic species through the recently developed Adaptive Natural Density Partitioning method. We confirmed aromaticity in most cases though there are a few cases where no aromaticity or a different type of aromaticty was revealed by the AdNDP method. The peculiarity of aromaticity in polynuclear transition metal compounds is frequently its multifold (σ-, π-, and δ-) nature. Moreover, the presence of simultaneous multifold aromaticity/antiaromaticity leads to conflicting aromaticity which complicates assignment of aromaticity/antiaromaticity in such compounds.

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Available abstract

The concept of aromaticity/antiaromaticity was recently extended to polynuclear transition metal compounds. In the current report we review recent advances made in the field of aromaticity and antiaromaticity in bare transition-metal clusters, clusters of transition metal suboxides and transition-metal clusters embedded in metalloorganic and inorganic compounds. We analyzed aromaticity in reported aromatic/antiaromatic species through the recently developed Adaptive Natural Density Partitioning method. We confirmed aromaticity in most cases though there are a few cases where no aromaticity or a different type of aromaticty was revealed by the AdNDP method. The peculiarity of aromaticity in polynuclear transition metal compounds is frequently its multifold (σ-, π-, and δ-) nature. Moreover, the presence of simultaneous multifold aromaticity/antiaromaticity leads to conflicting aromaticity which complicates assignment of aromaticity/antiaromaticity in such compounds.

Key concepts: Antiaromaticity, Aromaticity, Chemistry, Transition metal, Computational chemistry, Chemical physics, Organic chemistry, Molecule

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