Spectroscopy and Computation of Hydrogen-Bonded Systems

ISBN-13: 9783527349722 / Angielski / Twarda / 2022 / 600 str.

Marek J. Wójcik; Yukihiro Ozaki

Spis treści

THEORYLinear Response Theory Applications to IR Spectra of H-Bonded Cyclic Dimers Taking into Account the SurroundingDynamic Interactions Shaping Vibrational Spectra of Hydrogen-Bonded SystemsOn the Fly Molecular Dynamics Approach to the Tunneling Splitting Due to Intramolecular Proton TransferSPECTROSCOPYSpectroscopic Signatures of Low-Barrier Hydrogen Bonding in Neutral SpeciesExcess Spectroscopy of Hydrogen Bond Intramolecular Hydrogen Bonding in Porphyrin IsomersIsotope Effects in Hydrogen Bond ResearchRelevance of Intramolecular Interactions in Shaping the Potential Energy Surfaces and the Reactivity of a Series of Substituted Aromtic MoleculesHydrogen Bonding from Perspective of Overtones and Combination Modes: Near-Infrared Spectroscopic StudyDirect Observation and Kinetic Mapping of Point-to-Point Proton Transfer of a Hydroxy-Photoacid to Multiple (Competing) Intramolecular Protonation SitesMolecular Beam Microwave Spectroscopic Investigation of Hydrogen Bonds in IsolationIR and NMR Spectral Diagnostics of Hydrogen Bond Energy and GeometryATR-Far-Ultraviolet Spectroscopy Holds Unique Advantages for Investigating Hydrogen Bondings and Intermolecular Interactions of Molecules in Condensed PhaseWater Hydrogen Bond Network and Hydrophobic EffectHydrogen-Bonded Chains in Foldamer Structure and Dynamics

O autorze

Professor Marek Janusz Wójcik received his Ph. D. and habilitation from Jagiellonian University. He has been a research associate at National Research Council, Canada and University of Chicago, and has been a visiting professor at numerous universities and institutes in Japan, USA, Canada, Sweden, France, Germany, Malaysia and South Africa. He is a professor of Jagiellonian University. His important contributions include Quantum-Mechanical Models for Spectra of Hydrogen-Bonded Systems, Theoretical Modeling of Vibrational Spectra of Water, Aqueous Ionic Solutions and Ices, Theoretical Studies of Multidimensional Proton Tunneling and Car-Parrinello Simulations of Spectra of Hydrogen-Bonded Crystals. He received Chevalier Cross of the Order of Rebirth of Poland.Professor Yukihiro Ozaki received his Ph.D. in 1978 from Osaka University. He joined Kwansei Gakuin University in 1989. Since 1993 he was a professor in School of Science and Technology until the end of March, 2018. Currently, Ozaki is a professor emeritus of the university. He has guest professor or scientist positions at Peking University, Kobe University, Riken and Toyota Physical and Chemical Research Institute. He has been involved in studies of a wide range of molecular spectroscopy, covering from far-ultraviolet to far-infrared/Terahertz spectroscopy and Raman spectroscopy. Prof. Ozaki received several awards including Bomem-Michelson Award (2014), Chemical Society of Japan Award (2017), The Medal with Purple Ribbon (2018), and Pittsburg Spectroscopy Award (2019). Prof. Ozaki is a Fellow of Royal Society of Chemistry, Chemical Society of Japan, and Society of Applied Spectroscopy.