RESEARCH ACTIVITIES V
Department of Applied Molecular Science

A. Molecular Mechanisms of Oxygen Activation by Heme Enzymes

  1. Effects of Concerted Hydrogen Bonding of Distal Histidine on Active Site Structures of Horseradish Peroxidase. Resonance Raman Studies with Asn70 Mutants
  2. Conversion of Myoglobin into a Highly Stereospecific Peroxygenase by L29H/H64L Mutation
  3. Catalytic Intermediates of Polyethylene Glycolated Horseradish Peroxidase in Benzene

B. Molecular Mechanism of Substrate Metabolisms by Heme Enzymes

  1. Mechanistic Studies of N-Demethylation of Dimethylaniline Derivatives by O=FeIV Por-phyrin pi-Cation Radicals of Peroxidases and Their Synthetic Models
  2. Mechanistic Studies of a Suicidal meso-Oxidation of Novel Iron Porphyrin Complexes as a Model of the Formation of alpha-meso-Hydroxyheme by Heme Oxygenase

C. Model Reactions of Non-Heme Proteins

  1. A Model for Lipoxygenases: Synthesis, Structures, and Reactivity of (Hydroxo) Iron(III) Complexes with a Tetradentate Tripodal Ligand

D. Aqueous Organometallic Chemistry

  1. A New, Aqueous 1H NMR Shift Reagent Based on Host-Guest Molecular Recognition Principles for Organic Compound Structural Analysis: Non-Covalent pi-pi and Hydrophobic Interactions Using a Supramolecular Host, [Cp*Rh(2'-deoxyadenosine)]3(OTf)3

E. New High-Dimensionality Molecule-Based Magnets

  1. Spontaneous Magnetization in a 2 : 3 Complex Formed by 3,4',5-Tris(N-oxy-tert-butylamino)biphenyl and Manganese(II) bis(hexafluoro-acetylacetonate)
  2. High-Spin Polynitroxide Radicals as Versatile Bridging Ligands for Transition Metal Complexes with High Ferri/Ferromagnetic TC
  3. Magnetic Characterization of One-Dimensional Molecule-Based Metamagnet made of Mn(II)(hfac)2 and 1,3-Bis(N-oxy-tert-butylamino)-benzene
  4. Ferrimagnets Made By Assembling High-Spin Organic Polyradicals By Mean of Complexation With Magnetic Metal Ions. VII. One-Dimensional Chains Made by an Alternating Array of Mn(II)(hfac)2 and 1,3-Bis-(N-oxy-tert-butylamino)benzenes

F. Magnetism in Quantum Spin Systems

  1. onstruction of spin-1/2 Heisenberg Chains with Ferromagnetic and Antiferromagnetic Interactions
  2. Magnetic Properties of spin-1/2 Heisenberg Honeycomb Lattice with Ferro-magnetic and Antiferromagnetic Interactions
  3. Spin-1/2 Heisenberg Model with Ferromagnetic and Antiferromagnetic Interactions on a Honeycomb Lattice

G. Pressure Effect on Molecular Magnetism

  1. Magnetic Properties of Pure Galvinoxyl under Pressure --- Suppression of the Structural Change and Observation of the Magnetic Ordering

H. New Charge-Transfer Complexes Exhibiting Novel Magnetic Properties

  1. 1:2 TCNQ/TCNQ-· Mixed Salts Exhibiting Ferromagnetic Behavior at Room Temperature
  2. Temperature Dependence of Crystal Structures, and Electrical Conducting and Magnetic Properties in Plate Crystals of 1:2 Tetrafluorotetracyanoquinodimethane/Tetra-fluorotetracyano-quinodimethanide Mixed Tetramethyl-ammonium and -Phosphonium Salts
  3. Synthesis, and Electrical Conducting and Magnetic Properties of a Neutral Bis-(dimethylthiotetrathiafulvalenyldithiolate)-copper Complex
  4. Highly-Conducting Neutral Copper Complexes Substituted with Two Tetrathiafulvalenyldithiolato Groups
  5. New Spiro Donor Molecules: Bis(tetra-thiafulvalenyldithio)-methane and -germane
  6. A Novel Tetrathiafulvalenoquinodimethane Derivatives Exhibiting Strong Electronic Absorption in a Near-Infrared Region

I. Syntheses, Crystal Structures, and Solid State Properties of Halogen-Bridged Metal Complexes with Linear Chain Structures

  1. Intramolecular Twisting Motion and Phase Transition of Halogen-Bridged One-Dimensional Compound, Pt2(dta)4I

J. Spectroscopic Studies on Charge Delocalization and Charge Transfer in Molecular Clusters and in Pure Liquids

  1. Infrared Photodissociation Spectroscopy of Benzene Trimer Ions. Switching of the Dimer Ion Core in Vibrationally Excited States
  2. Charge Delocalization in Benzene-Naphthalene Hetero-Dimer Cation
  3. Electronic Structures and Photo-evaporation Dynamics of Benzene Cluster Ions
  4. Pump-Probe Photodepletion Spectroscopy of (C6H6)2+. Identification of Spectrum in the Charge Resonance Band Region
  5. Formation of Benzene Dimer Cations in Neat Liquid Benzene Studied by Femtosecond Transient Absorption Spectroscopy
  6. Nanosecond Time-Resolved Study on the Electronic Spectra of Jet-Cooled Anthracene Dimer

K. Molecular Clusters Formed in Aqueous Solutions

  1. Low Frequency Raman Spectroscopy of Ethanol-Water Mixtures: Evidence for Self-Association of Solute and Solvent Molecules
  2. Cohesion of Alcohols in Propanol-Water Mixtures

L. Structures and Dynamics of Negatively-Charged Molecular Clusters

  1. Photoelectron Spectroscopy of (CO2)n-: Core Switching in the 2 =< n =< 16 Range
  2. Photoelectron Spectroscopy of (CS2)n-: Coexistence of Electronic Isomers
  3. Electronic Structures of (SO2)n- as Studied by Photoelectron Spectroscopy
  4. Nucleophilic Reactivity of Gas-Phase Cluster Anions
  5. Photoabsorption and Photo-fragmentation Studies of Acetyloxy Iodide Anion CH3CO2I-
  6. Photoabsorption and Photo-fragmentation Studies of Nitric Oxide Cluster Anions (NO)n-
  7. Ab Initio MO Calculations on Acetyloxy Iodide Anion CH3CO2I-

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