Clusters

Structure, Bonding and Reactivity
1. Auflage 2017
ISBN: 978-3-319-48916-2
Verlag: Springer International Publishing

Buch, Englisch, Band 23, 363 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 729 g

Reihe: Challenges and Advances in Computational Chemistry and Physics

The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial applications. The first part of Binary Clusters is devoted to recent developments in experimental techniques, the second part covers a variety of theoretical approaches. Different theoretical methods based on group/graph theories and quantum chemical computational methods as well as various spectroscopy techniques (such as mass, laser, infrared, photoelectron etc.) are applied to the determination of the existence of geometrical and electronic structures, chemical bonding phenomena, and the thermodynamic stabilities of several classes of binary clusters. All chapters within this review volume have been contributed by experts in chemistry, physics, and material sciences based at the University of Leuven, Belgium. This book is aimed at professionals and students working in cluster science.

Zielgruppe

Research

Autoren/Hrsg.

Kiran, Boggavarapu

Nguyen, Minh Tho

Fachgebiete

• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie
• Naturwissenschaften Chemie Anorganische Chemie

Inhaltsverzeichnis

Overview new experimental methodologies for characterizing structures, spectroscopic and thermodynamic properties of clusters.- These include the dual-laser mass, infrared (RI-MPD), photoelectron, magnetic .. spectrometries.- Theoretical approaches including the group theory for electronic structure, graph theory for topology, theory of magnetism
.- The current status and extensions of the electron shell models (phenomenological, jellium… models) in the interpretation of electronic structure of doped clusters.- Successful applications of computational quantum chemical methods in the determination of geometrical and electronic structures, thermochemical and spectroscopic parameters, and rationalization of bonding phenomenon.- Presented for different classes of binary clusters including: 1) Lithium, 2) Boron, in particular the boron buckball B80, 3) Aluminum, 4) Carbon, 5) Silicon, 6) Gemanium, 7) Nitrogen, 8) Phosphorus, 8) Copper, 9) Silver and 10) Gold.

Über Autor(innen)

Minh Tho NGUYEN is a Full Professor of Chemistry at KU Leuven, Leuven, Belgium. 
Boggavarapu KIRAN is an Associate Professor of Chemistry at McNeese State University, Lake Charles, LA, USA.