Journal of Physical Chemistry, 2002, V 106, N 34, August 29.


 
LETTERS

Raman Studies of the Solution Structure of Univalent Electrolytes in Water Stephanie R. Dillon and Ralph C. Dougherty pp 7647 - 7650; Polar Solvation Dynamics in the Femtosecond Evolution of Two-Dimensional Fourier Transform Spectra John D. Hybl, Anchi Yu, Darcie A. Farrow, and David M. Jonas pp 7651 - 7654;
ARTICLES

DYNAMICS AND RELAXATION
Excited-State Intramolecular Proton Transfer in 2-(2'- Tosylaminophenyl)benzimidazole Christoph J. Fahrni, Maged M. Henary, and Donald G. VanDerveer pp 7655 - 7663; Dielectric Relaxation Behavior of Glycine Betaine in Aqueous Solution Toshiyuki Shikata pp 7664 - 7670; Dissipative Laser-Driven Hydrogen-Bond Dynamics in Deuterated o-Phthalic Acid Monomethylester O. K?hn pp 7671 - 7679; Twisted Intramolecular Charge Transfer States in 2-Arylbenzotriazoles: Fluorescence Deactivation via Intramolecular Electron Transfer Rather Than Proton Transfer Ashok Maliakal, George Lem, Nicholas J. Turro, Ravi Ravichandran, Joseph C. Suhadolnik, Anthony D. DeBellis, Mervin G. Wood, and Jacqueline Lau pp 7680 - 7689;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Torsional Potential of Methyl Group in m-Tolunitrile-H2O and m-Tolunitrile-N2O Complexes Studied by Laser-Induced Fluorescence and Hole-Burning Spectroscopies Masao Takayanagi, Daisuke Negishi, and Yusuke Sakurai pp 7690 - 7695; Infrared Spectra of the Novel Si2H2 and Si2H4 Species and the SiH1,2,3 Intermediates in Solid Neon, Argon, and Deuterium Lester Andrews and Xuefeng Wang pp 7696 - 7702; Hyperfine Interactions in HSiCl Wei Lin, Stewart E. Novick, Masaru Fukushima, and Wolfgang J?ger pp 7703 - 7706; Conformations of 1,1-Dimethoxyethane: Matrix Isolation Infrared and ab Initio Studies V. Venkatesan, K. Sundararajan, and K. S. Viswanathan pp 7707 - 7713; Two-Dimensional Penning Ionization Electron Spectroscopy of Monobromothiophenes: Orbital Reactivity and Anisotropic Interaction with He*(23S) Metastable Atom Shan Xi Tian, Naoki Kishimoto, and Koichi Ohno pp 7714 - 7721; Infrared Action Spectroscopy and Inelastic Recoil Dynamics of the CH4-OD Reactant Complex Maria Tsiouris, Ilana B. Pollack, and Marsha I. Lester pp 7722 - 7727; Vibrational Energy Distributions of NH2(2B1) Fragments Generated in the Photolysis of NH3 at 193 nm: Application of Kinetic Analysis on Vibrational Cascade Katsuyoshi Yamasaki, Akihiro Watanabe, Teruaki Kakuda, Akira Itakura, Hirofumi Fukushima, Masami Endo, Chiho Maruyama, and Ikuo Tokue pp 7728 - 7735; Photophysical and Lasing Properties of New Analogs of the Boron-Dipyrromethene Laser Dye PM567 in Liquid Solution A. Costela, I. Garc?a-Moreno, C. Gomez, R. Sastre, F. Amat-Guerri, M. Liras, F. L?pez Arbeloa, J. Ba?uelos Prieto, and I. L?pez Arbeloa pp 7736 - 7742; UV Photolysis and Thermal Annealing of H2S, HI, and H2CO in Solid Xe: Electronic Absorption Spectra of the Products Jussi Ahokas, Henrik Kunttu, Leonid Khriachtchev, Mika Pettersson, and Markku R?s?nen pp 7743 - 7747;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Rate Constant for the Reaction of Cl2(aq) with OH- M. Gershenzon, P. Davidovits, J. T. Jayne, C. E. Kolb, and D. R. Worsnop pp 7748 - 7754; Wavelength-Dependent Photolysis of n-Butyraldehyde and i-Butyraldehyde in the 280-330-nm Region Yunqing Chen, Lei Zhu, and Joseph S. Francisco pp 7755 - 7763; Ionization of Nitric Acid on Ice Christopher J. Pursell, Michael A. Everest, Mary E. Falgout, and Diana D. Sanchez pp 7764 - 7768; Quantum Chemistry Computation of Rate Constants for Reactions Involved in the First Aromatic Ring Formation Carlo Cavallotti, Renato Rota, and Sergio Carr? pp 7769 - 7778; Kinetics and Mechanism of the Gas-Phase Reaction of Cl Atoms and OH Radicals with Fluorobenzene at 296 K M. P. Sulbaek Andersen, O. J. Nielsen, M. D. Hurley, and T. J. Wallington pp 7779 - 7787; Gas-Phase Reactions of U+ and U2+ with O2 and H2O in a Quadrupole Ion Trap Glen P. Jackson, Fred L. King, Douglas E. Goeringer, and Douglas C. Duckworth pp 7788 - 7794; Calculation of Electron Transfer Rate Constants from Emission Spectra in Re(I) Chromophore-Quencher Complexes Juan Pablo Claude, Kristin M. Omberg, Darryl S. Williams, and Thomas J. Meyer pp 7795 - 7806;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Quantum/Classical Investigation of Amide Protonation in Aqueous Solution Dirk Zahn, Karl Friedemann Schmidt, Stefan M. Kast, and J?rgen Brickmann pp 7807 - 7812; An Experimental Electron Density Investigation of Squarate and Croconate Dianions Anupama Ranganathan and G. U. Kulkarni pp 7813 - 7819; An ab Initio Quantum Mechanical Study of Hydrogen-Bonded Complexes of Biological Interest Niu Huang and Alexander D. MacKerell, Jr. pp 7820 - 7827; Interactions of Water with Mono- and Diamino Derivatives of N,N'-Dimethyluracil Oleg V. Shishkin, Oleg S. Sukhanov, and Jerzy Leszczynski pp 7828 - 7833; Stereoelectronic Contributions to Long-Range 1H-1H Coupling Constants Eduardo M. Sproviero and Gerardo Burton pp 7834 - 7843; The Markovnikov Regioselectivity Rule in the Light of Site Activation Models A. Aizman, R. Contreras, M. Galv?n, A. Cedillo, J. C. Santos, and E. Chamorro pp 7844 - 7849; Reactions of HOCl + HCl + nH2O and HOCl + HBr + nH2O Andreas F. Voegele, Christofer S. Tautermann, Thomas Loerting, and Klaus R. Liedl pp 7850 - 7857; Density Functional Theory Vibrational Frequencies of Amides and Amide Dimers Tim M. Watson and Jonathan D. Hirst pp 7858 - 7867; Theoretical Study on the Decomposition of N2O over Alkaline Earth Metal-Oxides: MgO-BaO Elly J. Karlsen, Martin A. Nygren, and Lars G. M. Pettersson pp 7868 - 7875; Solid-State 93Nb, 19F, and 113Cd Nuclear Magnetic Resonance Study of Niobium Oxyfluorides: Characterization of Local Distortions and Oxygen/Fluorine Ordering Lin-Shu Du, Robert W. Schurko, Namjun Kim, and Clare P. Grey pp 7876 - 7886; The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations P. Bultinck, W. Langenaeker, P. Lahorte, F. De Proft, P. Geerlings, M. Waroquier, and J. P. Tollenaere pp 7887 - 7894; The Electronegativity Equalization Method II: Applicability of Different Atomic Charge Schemes P. Bultinck, W. Langenaeker, P. Lahorte, F. De Proft, P. Geerlings, C. Van Alsenoy, and J. P. Tollenaere pp 7895 - 7901; Reaction Path Sampling of the Reaction between Iron(II) and Hydrogen Peroxide in Aqueous Solution Bernd Ensing and Evert Jan Baerends pp 7902 - 7910; Molecular Resistance in a Molecular Diode: A Case Study of the Substituted Phenylethynyl Oligomer Chiranjib Majumder, Tina Briere, Hiroshi Mizuseki, and Yoshiyuki Kawazoe pp 7911 - 7914; Possible Photoinduced Spin Transitions in Bis(phenylmethylenyl)[2.2]paracyclophanes. A Spin-Orbit Coupling Study Masakazu Kondo, Yoshihito Shiota, and Kazunari Yoshizawa pp 7915 - 7920; On the Electronic Structure of Bis(5-cyclopentadienyl) Titanium Mark A. Freitag and Mark S. Gordon pp 7921 - 7926; An Assessment of the Performance of High-Level Theoretical Procedures in the Computation of the Heats of Formation of Small Open-Shell Molecules David J. Henry, Christopher J. Parkinson, and Leo Radom pp 7927 - 7936; Thermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations Raman Sumathi and William H Green, Jr. pp 7937 - 7949; Theoretical Study of the Quadrupolarity of Carbodiimide Rainer Glaser, Michael Lewis, and Zhengyu Wu pp 7950 - 7957;
GENERAL PHYSICAL CHEMISTRY
Conformational Control of Photoinduced Charge Separation within Phenothiazine- Pyrene Dyads Andr? Stockmann, Jana Kurzawa, Norbert Fritz, Nursel Acar, Siegfried Schneider, J?rg Daub, Raimund Engl, and Timothy Clark pp 7958 - 7970; Cooperative Counterion-Polyion Interactions in Polyelectrolyte Chain Dynamics: NMR and Quantum-Chemical Study of Locally Collapsed State in Dilute Poly(N- diallyldimethylammonium chloride) in NaCl/D2O Solutions J. K?, J. Dybal, and D. Kurkov? pp 7971 - 7981; Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate Hydrates by Molecular Simulation Eric M. Yezdimer, Peter T. Cummings, and Ariel A. Chialvo pp 7982 - 7987; H2 Elimination from Hydrated Aluminum Clusters: Acid-Base Reaction Mediated by Intracluster Proton Transfer Bj?rn M. Reinhard and Gereon Niedner-Schatteburg pp 7988 - 7992;