Quantum Chemical Approach for Organic Ferromagnetic Material - download pdf or read online

By Yuriko Aoki, Yuuichi Orimoto, Akira Imamura

This short offers an summary of theoretical examine in natural ferromagnetic fabric layout utilizing quantum chemical methods in response to molecular orbital concept from fundamental Hückel to ab initio degrees of conception. many of the content material describes the authors’ method of establish uncomplicated and effective directions for magnetic layout, that have now not been defined in different books. person chapters disguise quantum chemistry equipment that could be used to discover hydrocarbon platforms with degenerate non-bonding molecular orbitals that have interaction with one another, to spot high-spin-preferred platforms utilizing an analytical index that enables for easy layout of high-spin structures in addition to to research the impact of high-spin balance via orbital interactions. The extension of those the way to huge structures is discussed.This publication is a important source for college kids and researchers who're attracted to quantum chemistry regarding magnetic property.

Show description

Read Online or Download Quantum Chemical Approach for Organic Ferromagnetic Material Design PDF

Similar chemical books

Gas Kinetics and Energy Transfer: v.4: A Review of Chemical by P.G. Ashmore, R.J. Donovan PDF

Professional Periodical experiences supply systematic and specific evaluate assurance of development within the significant parts of chemical study. Written via specialists of their professional fields the sequence creates a different carrier for the lively learn chemist, offering usual serious in-depth debts of development specifically parts of chemistry.

Advances in Chemical Reaction Dynamics by R. Bersohn (auth.), Peter M. Rentzepis, Christos Capellos PDF

This booklet includes the formal lectures and contributed papers awarded on the NATO complicated research Institute on. the Advances in Chemical response Dynamics. The assembly convened on the urban of Iraklion, Crete, Greece on 25 August 1985 and persevered to 7 September 1985. the cloth provided describes the basic and up to date advances in experimental and theoretical features of, response dynamics.

Radionuclides in the Environment: Influence of chemical - download pdf or read online

This publication offers large and entire details to researchers and academicians who're attracted to radionuclide illness, its resources and environmental impression. it's also beneficial for graduate and undergraduate scholars focusing on radioactive-waste disposal and its effect on normal in addition to artifical environments.

Additional resources for Quantum Chemical Approach for Organic Ferromagnetic Material Design

Sample text

Room temperature magnetic order in an organic magnet derived from polyaniline. Polymer 45, 5683–5689 (2004) 159. : Theoretical study of very high spin organic pconjugated polyradicals. J. Phys. Chem. A 111, 9471–9478 (2007) 160. : Magnetic properties of very-high-spin organic p-conjugated polymers based on Green’s function theory. J. Chem. Phys. 129, 134706 (2008) 161. : Magnetism in disjoint/non-disjoint composite bands. Chem. Phys. 392, 90–95 (2012) 162. : Communication: a dramatic transition from nonferromagnet to ferromagnet in finite fused-azulene chain.

Chem. Soc. 126, 420–421 (2004) 15. : Structure and ferromagnetic interactions in open-shell supramolecular assemblies constructed from radical cations and hexacyanometallate anions. J. Am. Chem. Soc. 118, 3610–3616 (1996) 20 1 Survey of Organic Magnetism 16. : Chemistry and physics of supramolecular magnetic materials. Acc. Chem. Res. 33, 647–657 (2000) 17. : Ferromagnetic and antiferromagnetic coupling of [Ni(dmit)2]− anion layers induced by Cs+2 (benzo[18] crown-6)3 supramolecule. Inorg. Chem.

Theoret. Chim. ) 63, 291–304 (1983) 25. : Design of molecular assembly of diphenylcarbenes having ferromagnetic intermolecular interactions. J. Am. Chem. Soc. 107, 5293–5294 (1985) 26. : Magnetic behavior of nonet tetracarbene, m-phenylenebis((diphenylmethylen-3-yl)methylene). J. Am. Chem. Soc. 106, 6449–6450 (1984) 27. : Magnetic behavior of nonet tetracarbene as a model for one-dimensional organic ferromagnets. J. Am. Chem. Soc. 108, 368–371 (1986) 28. : Preparation and ESR detection of a ground-state nonet hydrocarbon as a model for one-dimensional organic ferromagnets.

Download PDF sample

Rated 4.93 of 5 – based on 49 votes