Fullerenes : nanochemistry, nanomagnetism, nanomedicine, nanophotonics

Enviar para

Título:
Fullerenes : nanochemistry, nanomagnetism, nanomedicine, nanophotonics
Autor: E. F. Sheka (Elena Fedorovna)
Assuntos: Fullerènes; NANOTECNOLOGIA; QUÍMICA ORGÂNICA
Notas: Bibliogr.
Descrição: Concepts and grounds -- Why odd electrons and not π electrons? -- Donor-acceptor ability as a leitmotiv of intermolecular interaction of fullerenes -- Energy terms of ground and excited states of a binary complex with intense D-A interaction -- Ionic components of a D-A binary system -- Odd electrons approach as a basic concept of nanoscience -- References -- Grounds of computational science of fullerenes -- Unrestricted broken symmetry approach: Basic relations -- UBS approach realization in semiempirical calculation -- UBS HF approach testing -- UBS HF approach and fullerene nanoscience -- References -- Fullerene C60 in view of the unrestricted broken symmetry Hartree-Fock approach -- Introduction -- Structure and symmetry -- C60 shape symmetry: Structural experiments
C60 shape symmetry: Quantum chemical calculations -- C60 shape symmetry: Optical spectra -- Continuous symmetry concept -- Continuous symmetry of fullerene C60 and its monoderivatives -- Continuous symmetry view on optical electronic spectra of fullerene C60 and its derivatives -- Total spin (S2) -- Chemical reactivity of fullerenes C60 and C70 -- Chemical portrait of fullerene C60 -- Chemical portrait of fullerene C70 -- C60 isomers -- Concluding remarks -- References -- Nanochemistry of fullerene C60: Stepwise computational synthesis of fluorinated fullerenes C60F2k -- Introduction -- Background and the problem formulation -- A historical background -- ACS algorithm of computational synthesis of fullerenes' derivatives -- Reactions of C60 fluorination -- Start of C60 fluorination -- C60F2 -- C60F8 adducts -- C60F10 -- C60F18 adducts
C60F20 -- C60F36 adducts -- C60F38 -- C60F48 adducts -- C60F50-C60F60 adducts -- Fluorination-induced C60 cage structure transformation -- Concluding remarks -- References -- Nanochemistry of fullerene C60: Hydrogenated fullerenes from C60 to C60 to 60 -- Grounds of computational methodology -- C60 hydrogenation as algorithmic process -- Comparative efficacy of fluorination and hydrogenation reactions -- C60 cage structure transformation during hydrogenation -- Comparison with experiments -- Concluding remarks -- References -- Nanochemistry of fullerene C60: Cyano- and azo-polyderivatives -- Introduction -- Grounds of computational methodology -- Polyhydrocyanides C60H(CN)2n -- 1 and polycyanides C60(CN)2n -- Polyazoderivatives C60(NH)m -- Concluding remarks: A little about C60 chlorination -- References -- Nanochemistry of fullerene C60: Donor-acceptor reactions of fullerene C60 with amines
Introduction -- About intermolecular interaction and donor-acceptor chemical reactions -- Donor-acceptor reactions for fullerene dyads with different types of intermolecular interaction terms -- Methodology of a D-A dyad consideration -- Molecular partners -- Dimethylenemethylamine (DMMA) -- Tetrakis(dimethylamino)ethylene (TDAE) -- Tetrakisaminoethylene (TAE) -- 2-Cyclooctylamine-5-nitropyridine (COANP) -- Molecular ions -- C60-based dyads -- Dyad C60-DMMA -- Dyad C60-TDAE -- Dyad C60-TAE -- Dyad C60-COANP -- Concluding remarks about donor-acceptor chemical reactions of fullerene C60 -- References -- Nanochemistry of fullerene C60: C60 dimerization and oligomerization -- Introduction -- Ground-state term of the C60 -- C60 dyad -- Dimerization mechanisms -- Photoexcitation technology -- Thermal and high-pressure technologies
Plasma and electron beam processing -- Field-stimulated formation and decomposition of dimers -- C60 oligomers -- Polymerization grounds -- Structural data -- Binding energies in oligomers -- Concluding remarks about the character of chemical reactions typical to fullerene -- References -- Nanomedicine of fullerene C60 -- Introduction -- Spin-flip in the oxygen molecule in fullerene solutions -- Fullerene-silica complexes for medicinal chemistry -- C60 fullerene-highly dispersed silica composite -- Aerosil (PNSS) -- Silica gel (SCG) -- Aerogel -- Fullerosil -- Fullerosilica gel -- Concluding remarks on the nature of the biological activity of fullerene -- References -- Nanophotonics of fullerenes -- Introduction -- Schematic characterization of the excited states and optical spectra of fullerenes in solution
Electromagnetic theory of enhanced optical effects -- Absorption and emission spectra of fullerenes in solution -- Quantum chemical analysis of intermolecular interactions in solutions of fullerenes -- Blue emission, pairwise interaction, and efficacy of nonlinear optical behavior -- And again about blue emission, photodynamic therapy, and nanophotonics of fullerene solutions -- Nanophotonics of fullerenes in chemistry, medicine, and optics -- References -- Odd electron-enhanced chemical reactivity of carbon nanotubes -- Introduction -- Chemical reactivity of carbon nanotubes -- (4,4) Single-walled carbon nanotubes -- Fragments of group 1 -- Fragments of group 2 -- Fragments of group 3 -- (n,n) and (m,0) Single-walled carbon nanotubes -- (n,n) Single-walled carbon nanotubes -- (m,0) Single-walled carbon nanotubes -- General view on single-walled carbon nanotubes' chemical reactivity
Comparison with experiment -- Electronic characteristics of single-walled carbon nanotubes -- References -- Chemical reactivity of graphene -- Introduction -- Broken symmetry Hartree-Fock approach to chemical reactivity of graphene -- Carbon nanotube-graphene composites -- Grounds for the computational synthesis of (I)k (II)l composites -- Hammer (I)1,2 (II)1,2 composites -- Composites I -- Composites II -- Composites III -- Composites IV -- Cutting-blade (I)1,2 (II)1,2 composites -- Composites V -- Cross-sections VI -- Composites VII and VIII -- Composites IX -- Cross-section X -- Composites XI -- Composite XII -- Concluding remarks -- Synopsis of features concerned with chemical reactivity of nanocarbons -- Fullerenes -- Single-walled nanotubes -- Graphene -- References
Magnetism of fullerenes and graphene -- Introduction -- Why are C60 and C70 molecules nonmagnetic? -- Effectively unpaired electrons in monomer molecules of oligomers -- Peculiarities in the odd electrons behavior -- Exchange integral J -- Nanostructures and magnetism in polymeric C60 crystals -- Magnetism of zigzag edge nanographenes -- About size-dependent magnetism -- Odd electrons as they are seen today -- References -- Chemical and structural analogs of sp2 nanocarbons -- Siliceous nanostructures -- Boron nitride hexagon-packed species -- References -- Conclusion.
"Using an approach based on the author's original concepts, this book addresses the unique features of fullerenes that make them the keystones of carboneous nanoscience. Using tables, graphs, and equations to make comparisons, the book explores the similarities and differences between fullerenes, carbon nanotubes, and graphene. These visual aids help readers to better understand the possibilities of computational nanotechnology"--Résumé de l'éditeur.
Editor: Boca Raton, FL : CRC Press
Data de criação/publicação: c2011
Formato: xv, 312 p. : ill. ; 25 cm..
Idioma: Inglês

Links

Este item no Dedalus

Fullerenes : nanochemistry, nanomagnetism, nanomedicine, nanophotonics

E. F. Sheka (Elena Fedorovna)

Boca Raton, FL : CRC Press c2011

Buscando em bases de dados remotas. Favor aguardar.