Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters.
Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations.
The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include:
- Computational studies on molecules with unusual aromaticity
- Electronic shells and magnetism in small metal clusters
- A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring
- The correlation between electron delocalization and ring currents in all metallic aromatic compounds
- Phenomenological shell model and aromaticity in metal clusters
- Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters
- 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry
This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.
Aromaticity: From Benzene to Atomic Clusters; S. Nigam and C. Majumder
On the Measures of Aromaticity; G. Narahari Sastry, P. Venuvanalingam, and P. Kolandaivel
Aromaticity in Metals: From Clusters to Solids; A. P. Sergeeva and A. I. Boldyrev
Computational Studies on Molecules with Unusual Aromaticity: What to Expect? A. Datta, S. S. Mallajosyula, and S. K. Pati
Using the Electron Localization Function to Measure Aromaticity; P. Fuentealba, E. Florez, and J. C. Santos
Polarizability of Metal Clusters: A Coarse-Grained Density Functional Theory Approach; S. K. Ghosh
Reactivity of Metal Clusters; J. A. Alonso, A. Mañanes, and L. M. Molina
Electronic Shells and Magnetism in Small Metal Clusters; P. Sen
Using Theory in Determining the Properties of Metal Clusters: Sodium as a Case Study; V. Tevekeliyska, Y. Dong, M. Springborg, and V. G. Grigoryan
The Induced Magnetic Field and Its application; R. Islas, G. Martínez-Guajardo, G. Seifert, T. Heine, and G. Merino
A Density Functional Investigation on the Structures, Energetics, and Properties of Sodium Clusters through Electrostatic Guidelines and Molecular Tailoring; K. V. Jovan Jose, S. S. Khire, and S. R. Gadre
Size and Shape-Dependent Structural and Electronic Properties of Metal Chalcogenide Nanoclusters; S. Pal and P. Sarkar
Correlation between Electron Delocalization and Ring Currents in All Metallic "Aromatic" Compounds; P. Bultinck, S. Fias, M. Mandado, and R. Ponec
Phenomenological Shell Model and Aromaticity in Metal Clusters; T. Höltzl, T. Veszprémi, P. Lievens, and M. T. Nguyen
Rationalizing the Aromaticity Indexes Used to Describe the Aromatic Behavior of Metal Clusters; P.t Seal and S. Chakrabarti
Aromaticity in All-Metal Rings; J. M. Mercero, I. Infante, and J. M. Ugalde
Synthesis and Structure of Aromatic Alkali Metal Clusters Supported by Molybdenum Metalloligands; M. Bhattacharjee
5f Orbital Successive Aromatic and Antiaromatic Zones in Triangular Uranium Cluster Chemistry; C.s A. Tsipis
Bonding, Aromaticity, and Possible Bond-Stretch Isomerism in an "All-Metal" Cluster—[Be6Zn2]2−; S. Giri, R. P. S. A. Kumar, A. Chakraborty, D. R. Roy, S. Duley, R. Parthasarathi, M. Elango, R. Vijayaraj, V. Subramanian, G. Merino, and P. K. Chattaraj
Are Dicationic Chalcogenid Ring Systems Aromatic? P. Calaminici, A.s M. Köster, and Z. Gómez-Sandoval
Study of Aromaticity in Phosphazenes; P. C. Jha, Y. A. Pati, and S. Ramasesha
Index
Biography
Pratim Kumar Chattaraj
