Title Electronic and magnetic properties of chiral molecules and supramolecular architectures / volume editors, Ron Naaman, David N. Beratan, David H. Waldeck ; with contributions by J. Autschbach [and others]

Published Heidelberg : Springer, ©2011

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Description 1 online resource (xi, 311 pages) : illustrations Series Topics in current chemistry, 0340-1022 ; 298 Topics in current chemistry ; 298. 0340-1022 Contents Machine generated contents note: Time-Dependent Density Functional Response Theory for Electronic Chiroptical Properties of Chiral Molecules / Mark Rudolph -- 1. Introduction -- 2. Time-Dependent Density Functional Theory and Chiroptical Properties -- 2.1. Optical Rotation Parameter -- 2.2. Optical Rotation and Circular Dichroism -- 2.3. TDDFT Linear Response -- 2.4. Origin Dependence of Chiroptical Properties -- 2.5. Computing Nonsingular Response Near Resonances -- Recent Theoretical and Experimental Advances in the Electronic Circular Dichroisms of Planar Chiral Cyclophanes / Yoshihisa Inoue -- 1. Introduction -- 2. Circular Dichroism of Cyclophanes -- 2.1. Cyclophanes with a Single Chromophore -- 2.2. Cyclophanes Composed of a Pair of Chromophores -- 2.3. Layered Cyclophanes -- 2.4. Bi-Cyclophanes -- 2.5. Dendrimers and Polymers Containing Cyclophanes -- 3. Summary and Outlook -- ̂ Note continued: 3.2. Reversibility of Chiral Memory -- 4. How Big Must the Template Be in Order to Imprint the Chiral Information? -- 5. Resolution of Chirality by Stirring: The Vortex Effect -- 6. Conclusive Remarks and Perspectives -- References -- Vibrational Circular Dichroism Spectroscopy of Chiral Molecules / Yunjie Xu -- 1. Introduction -- 2. VCD Experiments -- 2.1. VCD Instrumentation and Some Recent Technique Developments -- 2.2. Measurements of VCD Spectra -- 3. VCD Calculations -- 3.1. VCD Theory -- 3.2. Simulations of VCD Spectra -- 4. VCD Applications -- 4.1. AC Determinations -- 4.2. H-bonding Interactions of Chiral Molecules in Solution -- 4.3. Enhancement of VA and VCD Intensities in Transition Metal Containing Chiral Complexes -- 4.4. Conformational Study of Absorbed Chiral Ligands on AuNPs -- 4.5. Matrix Isolation VCD Spectroscopy for Probing Conformational Landscapes of Highly Flexible Chiral Molecules and Chiral Molecular Complexes -- 4.6. Towards Real Time VCD Measurements -- 5. Concluding Remarks -- References -- Spin Selective Electron Transmission Through Monolayers of Chiral Molecules / Zeev Vager -- 1. Introduction -- 2. Experimental -- 3. Results -- 3.1. Electron Transmission Through SAM of Polyalanine -- 3.2. Temperature Dependence of Spin Transmission -- 3.3. Spin Selectivity in DNA -- 4. Discussion -- 5. Summary -- References -- Chiral Control of Current Transfer in Molecules / Spiros S. Skourtis -- 1. Introduction -- 2. Transmission of Polarized Electrons Through Chiral Molecular Layers -- 3. Time Dependent Current Transport Analysis -- 3.1. Dephasing -- 4. Steady-State Transport Analysis -- 5. Steady-State Currents and Asymmetry Factors -- 6. Steady-State Current Transfer with Dephasing -- 7. Conclusions -- References Note continued: Spin-Polarized Electron Induced Asymmetric Reactions in Chiral Molecules / Richard A. Rosenberg -- 1. Introduction -- 2. Sources of Spin-Polarized Electrons -- 2.1. Parity Violation -- 2.2. Photoemission -- 2.3. Secondary Electrons -- 3. Experimental Studies -- 3.1. High Energy Electrons -- 3.2. Low-Energy Electrons -- 4. Mechanisms -- 5. Conclusion and Future Work -- References Summary Time-Dependent Density Functional Response Theory for Electronic Chiroptical Properties of Chiral Molecules, by Jochen Autschbach, Lucia Nitsch-Velasquez, and Mark Rudolph; Recent Theoretical and Experimental Advances in the Electronic Circular Dichroisms of Planar Chiral Cyclophanes, by Yoshihisa Inoue and Tadashi Mori; G-C Content Independent Long-Range Charge Transfer Through DNA, by Kiyohiko Kawai and Tetsuro Majima; Transfer of Chirality for Memory and Separation, by Rosaria Lauceri, Alessandro D'Urso, Angela Mammana and Roberto Purrello; Vibrational Circular Dichroism Spectroscopy 4 of Chiral Molecules, by Guochun Yang and Yunjie Xu; Spin Selective Electron Transmission Through Monolayers of Chiral Molecules, by Ron Naaman and Zeev Vager; Chiral Control of Current Transfer in Molecules, by Vered Ben-Moshe, David N. Beratan, Abraham Nitzan and Spiros S. Skourtis; Spin-Polarized Electron Induced Asymmetric Reactions in Chiral Molecules, by Richard A. Rosenberg Bibliography Includes bibliographical references and index Notes Print version record Subject Chirality. Supramolecular chemistry. Molecular electronics. Molecules -- Magnetic properties Electrons. Magnetics. Models, Molecular Electrons Magnetics Chimie. Science des matériaux. Magnetics Electrons Chirality Molecular electronics Molecules -- Magnetic properties Supramolecular chemistry Form Electronic book Author Naaman, Ron Beratan, D. (David) Waldeck, David H. (David Hennessey), 1956- ISBN 9783642181047 364218104X 3642181031 9783642181030

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