1 edition of Aromaticity and metal clusters found in the catalog.
Aromaticity and metal clusters
Pratim Kumar Chattaraj
Includes bibliographical references and indexes.
|Statement||editor, Pratim Kumar Chattaraj|
|LC Classifications||QD461 .A76 2011|
|The Physical Object|
|LC Control Number||2010029754|
Bonding, aromaticity and reactivity patterns of some all-metal and non-metal clusters Figure 6. Some important frontier molecular orbital pictures of different metal clusters (scheme S3). form. Thus a variation in the aromaticity trends for the different moieties can well be observed in course of the reactions. The atomic charges Qk (NPA) and. The number of clusters is growing rapidly, since the possible variations in the metal and ligand sphere are numerous. Modern bonding theories, such as the isolobal principle, have allowed a better understanding of the structures and properties of metal clusters, and thus paved the way for the usage of these versatile materials.
Abstract Recently, the σ‐aromaticity model proposed for cyclopropane by Dewar was employed to account for the stability of Group 8 trinuclear metal–carbonyl compounds [M3(CO)12] (M=Fe, . [non-primary source needed] Metal aromaticity is believed to exist in certain clusters of aluminium, for example.  Homoaromaticity is the state of systems where conjugation is interrupted by a single sp 3 hybridized carbon atom. Y-aromaticity is used to describe a Y-shaped, planar (flat) molecule with resonance bonds.
Transition-metal-centered monocyclic boron wheel clusters (M©Bn): a new class of aromatic borometallic compounds Acc Chem Res. Feb 19;46(2) doi: /ara. Epub Dec 5. Authors Constantin. The mixed copper clusters Cu3Si3+ and Cu3Ge3+ are found to be σ aromatic compounds. The copper hydrides CunHn can better be regarded as nonaromatic rather than aromatic compounds. The ring current indicator reveals the σ aromatic feature for [email protected]+ and [email protected]+ clusters, whereas this criterion shows a double aromaticity of [email protected] and.
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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. 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. 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 internationalCited by: DOI link for Aromaticity and Metal Clusters. Aromaticity and Metal Clusters book. Aromaticity and Metal Clusters. DOI link for Aromaticity and Metal Clusters.
Aromaticity and Metal Clusters book. Edited By Pratim Kumar Chattaraj. Edition 1st Edition. Aromaticity and metal clusters book Published eBook Published 15 October Author: Pratim Kumar Chattaraj. Thus, the concept of aromaticity extended to all-metal clusters and a new era in aromatic metal clusters began.
The concept of all-metal aromaticity has been used to describe the structure, bonding, stability, and reactivity of metal clusters by different theoretical as well as experimental scientific research groups all over the world [–]. 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.
Aromaticity is an important concept in chemistry primarily for organic compounds, but it has been extended to compounds containing transition-metal atoms. Recent findings of aromaticity and antiaromaticity in all-metal clusters have stimulated further research in describing the chemical bonding, structures and stab.
The 2N2 + 2N + 1 with S = N + 1/2 rule represented the extension to open-shell spherical compounds of the 2(N + 1)2 Hirsch rule for spherical aromatic species. In this work, we provide evidence that the jellium model with its magic numbers can.
Chattaraj, Aromaticity and Metal Clusters,Buch, Bücher schnell und portofrei Beachten Sie bitte die aktuellen Informationen unseres Partners DHL zu Liefereinschränkungen im Ausland. Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster.
The Journal of Physical Chemistry A(40), DOI: /6b ISBN: OCLC Number: Description: xxi, pages: illustrations ; 24 cm. Contents: Aromaticity: from benzene to atomic clusters / Sandeep Nigam and Chiranjib Majumder --On the measures of aromaticity / G. Narahari Sastry, P. Venuvanalingam, and P.
Kolandaivel --Aromaticity in metals: from clusters to solids / Alina. Chapter 1 Aromaticity --chapter 2 On the Measures of Aromaticity --chapter 3 Aromaticity in Metals --chapter 4 Computational Studies on Molecules with Unusual Aromaticity --chapter 5 Using the Electron Localization Function to Measure Aromaticity --chapter 6 Polarizability of Metal Clusters --chapter 7 Reactivity of Metal Clusters --chapter 8.
The aromatic character of some small planar metallic clusters was revisited with an emphasis on their σ electrons.
In contrast to previous reports, our approach based on magnetic ring current as an indicator for aromaticity points out that the σ electron delocalization in molecules behaves as an important contributor to their thermodynamic stability.
Ring current maps were constructed. cluster shapes and also for doped metal clusters. In this chapter we aim to demonstrate that the aromaticity of metal clusters can be interpreted in terms of the PSM, which can be used to.
Though aromaticity in compounds containing a transition-metal atom has already been discussed for quite a long time, aromaticity in all-transition metal systems have been recognized only recently.
There are examples of σ- π- and δ-aromaticity based on s- p- and d-AOs. Spherical Aromaticity of All‐Metal [[email protected]]3−/5− Clusters Published on in Chemistry: A European Journal DOI: /CHEM Copy DOI. The geometrical structures, aromatic character, and oriented external electric field (OEEF) regulated superhalogen formation of the neutral and charged AuSc 2 clusters were explored by employing the density functional theory (DFT) calculations.
The open-shell dual aromaticity involving the delocalization of d orbitals of transition metal atoms was evidenced in AuSc 2 −. The s- and p-aromaticity in transition metal systems have already been discussed, while the d-aromaticity has not been definitely identified yet.
In a joint experimental and theoretical study we recently have shown that the Ta 3 O 3 – D 3h 1 A 1 ' cluster is the first cluster with the d-aromaticity (Figure 1). Figure 1. Aromaticity of Some Metal Clusters: A Different View from Magnetic Ring Current Article (PDF Available) in The Journal of Physical Chemistry A (5) January with Reads.
of aromaticity in all-metal and semimetal clusters. To reach these goals, we have chosen a series of all-metal clusters with well-established aromatic character.
In particular, we will discuss electron delocalization and aromaticity in some 4-MRs having, ﬁrst, double r- and p-aromaticity (Al 4 2-[5, 13, 24, 35, 36, 42–51], MAl. We present new insight into the nature of aromaticity in metal clusters. We give computational arguments in favor of using the ring-current model over local indices, such as nucleus independent chemical shifts, for the determination of the magnetic.Metal aromaticity is the concept of aromaticity found in many organic compounds is extended to first experimental evidence for the existence of aromaticity in metals was found in aluminium cluster compounds of the type MAl − 4 where M stands for lithium, sodium or copper.
These anions can be generated in a helium gas by laser vaporization of an aluminium / lithium .Aromaticity is a concept invented to account for the unusual stability of an important class of organic molecules: the aromatic compounds. Here we report experimental and theoretical evidence of aromaticity in all-metal systems.
A series of bimetallic clusters with chemical composition MAl4 – (M = Li, Na, or Cu), was created and studied with photoelectron .