Atomic Clusters with Unusual Structure, Bonding and Reactivity. Theoretical Approaches, Computational Assessment and Applications

Table of Contents

Part 1: Introductory Information About Experimental and Theoretical Tools in Cluster Chemistry
1. Introduction to Cluster Chemistry
2. The Essence and Application of Global Minima Searching Code in Cluster Chemistry
3. Modern Experimental Techniques to Generate and Characterize Atomic Clusters

Part 2: Unusual Structural Diversity in Clusters
4. Clusters with Planar Tetracoordinate Carbon
5. Clusters with Planar Pentacoordinate Carbon and beyond
6. Boron Nanorotors in Cluster Chemistry
7. Boron Buckyball and Reactivityin Cluster Chemistry
8. Clusters with Ultrashort Bond Distance
9. Molecular Stars in Cluster Chemistry
10. Highly Symmetric Nanoclusters
11. Zwitterionic Clusters
12. Bimetallic Clusters: Effect of Doping on Stability and Reactivity
13. Inorganic Double-Helix in Cluster Chemistry
14. Nanowheels in Cluster Chemistry
15. Sandwiches and Inverse Sandwiches in Cluster Chemistry

Part 3: Reactivity and Application of Clusters
16. Clusters with Reactivity towards Noble Gas
17. Carbon Monoxide and Dinitrogen Fixation by Clusters
18. Clusters with Catalytic Property
19. Superalkali and Superhalogen Property of Clusters
20. Cluster Assisted Water-Splitting
21. Relativistic Effects Induced Reactivity in Gold Clusters
22. Hydrogen Storage Perspective of Clusters

Authors

Pratim Kumar Chattaraj Institute Chair Professor, Indian Institute of Technology Kharagpur, Kharagpur, India. Pratim Kumar Chattaraj obtained his Ph.D. degree from the Indian Institute of Technology (IIT) Bombay (India) in 1988 under the supervision of Professor B. M. Deb. Currently he is an Institute Chair Professor in IIT Kharagpur (India). He is also a Distinguished Visiting Professor at IIT Bombay. He was a Research Associate at the University of North Carolina, Chapel Hill (USA) with Professor Robert G. Parr and also at the FAU, Erlangen-N�rnberg (Germany) with Professor Paul v. R. Schleyer. He has been actively engaged in research in the areas of density functional theory, ab initio calculations, nonlinear dynamics, aromaticity in metal clusters, hydrogen storage, noble gas compounds, machine learning, chemical reactivity and quantum trajectories. He is a coauthor of more than 380 scientific publications. Sudip Pan Professor, Nanjing Tech University, Nanjing, China. Sudip Pan was born in West Bengal, India on 10th April, 1987. He received his master's degree in chemistry from Vidyasagar University, India and obtained his Ph.D. degree from the Indian Institute of Technology Kharagpur, India, in 2016 under the supervision of Prof. Pratim K. Chattaraj. In the same year, he moved to work as a Postdoctoral Fellow at Cinvestav, Merida, Mexico, under Prof. Gabriel Merino. Toward the end of 2017, he moved to Nanjing Tech University, China, for another postdoctoral stay under Prof. Gernot Frenking and Prof. Lili Zhao where he is presently working. His research interests include the theoretical predictions of systems having unusual bonding and properties. He is a coauthor of more than 100 scientific publications. Gabriel Merino Professor, Universidad de Merida, Merida, Mexico. Gabriel Merino was born in Puebla, Mexico, in 1975. He received his Ph.D. in 2003 under the supervision of Alberto Vela. After postdoctoral stages in TU Dresden (Thomas Heine and Gotthard Seifert) and Cornell University (Roald Hoffmann), he was Professor at Universidad de Guanajuato from 2005-2011. He became Professor in Centro de Investigaci�n y de Estudios Avanzados (Cinvestav) in M�rida, Mexico in 2012. He is member of the Advisor Board of Chemical Science (RSC), ChemistrySelect (Wiley), and the International Journal of Quantum Chemistry (Wiley) and Associate Editor of RSC Advances (RSC). He obtained the Research Award from the Academia Mexicana de Ciencias (2012), the Marcos Moshinsky Award (2012), and the Walter Kohn Award (2018) by the International Center of Theoretical Physics. His research interests include nonclassical carbon and boron systems, aromaticity, and chemical bond.