Journal of Physical Chemistry, 2004, V 108, N 26, 1 July.

ARTICLES
 
DYNAMICS AND RELAXATION 
 
Photophysical Properties of the Pyrromethene
597 Dye: Solvent Effect
J. Banuelos Prieto, F. Lopez Arbeloa, 
Virginia Martinez Martinez, T. Arbeloa Lopez, 
and I. Lopez Arbeloa
pp 5503 - 5508; 

Deactivation of O2(1g) Singlet Oxygen by 
Carotenoids: Internal Conversion of Excited
Encounter Complexes
Reinhard Schmidt
pp 5509 - 5513; 
 
Understanding the One-Photon Photophysical
Properties of a Two-Photon Absorbing Chromophore
Joy E. Rogers, Jonathan E. Slagle, Daniel G. McLean, 
Richard L. Sutherland, Bala Sankaran, 
Ramamurthi Kannan, Loon-Seng Tan, and Paul A. Fleitz
pp 5514 - 5520; 
 
Quest for IR-Pumped Reactions in 
Dihydrogen-Bonded Complexes
Simona Marincean and James E. Jackson
pp 5521 - 5526; 
 
Nonrigid Group Theory, Tunneling Splittings, 
and Nuclear Spin Statistics of Water Pentamer: (H2O)5
K. Balasubramanian
pp 5527 - 5536; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Matrix Isolation and Theoretical Study of the 
Reaction of Ethyne with OVCl3 and CrCl2O2
Bruce S. Ault
pp 5537 - 5543; 
 
Matrix Isolation Infrared and Theoretical Study
of the Reaction of VCl4 with NH3 and (CH3)3N
David A. Kayser and Bruce S. Ault
pp 5544 - 5550;
 
Double-Proton-Transfer Processes in Dithiooxamide:
UV-Induced Dithione  Dithiol Reaction and 
Ground-State Dithiol  Dithione Tunneling
Leszek Lapinski, Hanna Rostkowska, 
Artem Khvorostov, Mujgan Yaman, Rui Fausto, 
and Maciej J. Nowak
pp 5551 - 5558; 

Temperature Dependence of Optical Rotation:
-Pinene, -Pinene Pinane, Camphene, 
Camphor and Fenchone
Kenneth B. Wiberg, Yi-gui Wang, 
Michael J. Murphy, and Patrick H. Vaccaro
pp 5559 - 5563; 
 
The Unusual Intensity Behavior of the
281-cm-1 Resonance Raman Band of C60: 
A Complex Tale of Vibronic Coupling, Symmetry 
Reduction, Solvatochromism, and Jahn-Teller Activity
Sean H. Gallagher, Keiran C. Thompson, 
Robert S. Armstrong, and Peter A. Lay
pp 5564 - 5572;
 
Use of Dusty Plasmas for Surface-Enhanced
Vibrational Spectroscopy Studies
M. Rosenberg, D. P. Sheehan, and J. R. Petrie
pp 5573 - 5575; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Antioxidant Chemistry: Oxidation of L-Cysteine
and Its Metabolites by Chlorite and Chlorine Dioxide
James Darkwa, Rotimi Olojo, Edward Chikwana, 
and Reuben H. Simoyi
pp 5576 - 5587; 
 
O(1D) Branching Fraction from the Reaction 
N(2D) + O2  NO(2,v,J) + O(3P,1D)
Steven M. Miller and Martin Hunter
pp 5588 - 5599; 
 
Experimental and Theoretical Studies 
of the Benzylium+/Tropylium+ Ratios after 
Charge Transfer to Ethylbenzene
Travis D. Fridgen, Juergen Troe, A. A. Viggiano, 
Anthony J. Midey, Skip Williams, 
and Terry B. McMahon
pp 5600 - 5609; 
 
Gas-Phase Oxidation and Nitration of First-, 
Second-, and Third-Row Atomic Cations in 
Reactions with Nitrous Oxide: Periodicities
in Reactivity
Vitali V. Lavrov, Voislav Blagojevic, 
Gregory K. Koyanagi, Galina Orlova, 
and Diethard K. Bohme
pp 5610 - 5624; 
 
k Correlation Analysis. A Quantitative 
Two-Dimensional IR Correlation Method 
for Analysis of Rate Processes with 
Exponential Functions
Saratchandra Shanmukh and 
Richard A. Dluhy
pp 5625 - 5634;
 
Atmospheric Chemistry of 4:2 Fluorotelomer 
Alcohol (CF3(CF2)3CH2CH2OH): Products 
and Mechanism of Cl Atom Initiated Oxidation
M. D. Hurley, J. C. Ball, T. J. Wallington, 
M. P. Sulbaek Andersen, D. A. Ellis, 
J. W. Martin, and S. A. Mabury
pp 5635 - 5642; 
 
Shock Tube Studies Using a Novel Multipass 
Absorption Cell: Rate Constant Results 
For OH + H2 and OH + C2H6
L. N. Krasnoperov and J. V. Michael
pp 5643 - 5648;

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Dyotropic Rearrangements of Dihalogenated
Hydrocarbons: A Density Functional Theory Study
Jian-Wei Zou and Chin-Hui Yu
pp 5649 - 5654; 
 
Tunneling while Pulling: The Dependence of 
Tunneling Current on End-to-End Distance
in a Flexible Molecule
Jianping Lin and David N. Beratan
pp 5655 - 5661;
 
TD-DFT Computational Insight into the Origin 
of Wavelength-Dependent E/Z Photoisomerization 
of Urocanic Acid
Olga Dmitrenko, Wolfgang Reischl, Robert D. Bach, 
and Jens Spanget-Larsen
pp 5662 - 5669; 
 
Electronic Structures and Spectroscopic Properties
of 6-Electron Ring Molecules and Ions E2N2 
and E42+ (E = S, Se, Te)
Heikki M. Tuononen, Reijo Suontamo, 
Jussi Valkonen, and Risto S. Laitinen
pp 5670 - 5677; 
 
Diastereoselective Decarboxylation of 
Cyclopentene Dicarboxylic Acid Derivatives
Jin Yong Lee, Jongseob Kim, Ka Young Lee, 
and Jae Nyoung Kim
pp 5678 - 5683; 
 
Quantum-Chemical Investigation of the Conformational 
Dynamics of Mono-meso-phenyl-Substituted 
Octaalkylporphyrins in the Triplet Excited State
Igor V. Avilov, Eduard I. Zenkevich, Evgeny I. Sagun, 
and Igor V. Filatov
pp 5684 - 5691; 

On the Accuracy of DFT for Describing Hydrogen 
Bonds: Dependence on the Bond Directionality
Joel Ireta, Jorg Neugebauer, and Matthias Scheffler
pp 5692 - 5698; 

Photodissociation Rate Constants for VUV Processes
of CF3Cl and CF2Cl2 in the Upper Atmosphere. 
A MQDO Study
E. Mayor, A. M. Velasco, and I. Martin
pp 5699 - 5703; 
 
Theoretical Study of Arsenic-Doped Carbon
Clusters CnAs- (n = 1-11)
J. W. Liu, M. D. Chen, L. S. Zheng, 
Q. E. Zhang, and C. T. Au
pp 5704 - 5709; 

Two Geminal Delocalizations Affect the 
Structural Preference of Disilyne and Its Derivatives
Masae Takahashi and Kenkichi Sakamoto
pp 5710 - 5714;
 
A Bindschedler's Green-Based Arylamine
Its Polycations with High-Spin Multiplicity
Akihiro Ito, Haruhiro Ino, Yuki Matsui, 
Yasukazu Hirao, Kazuyoshi Tanaka, Katsuichi Kanemoto, 
and Tatsuhisa Kato
pp 5715 - 5720; 

Electron Attachment to the Aza-Derivatives
of Furan, Pyrrole, and Thiophene
Alberto Modelli and Paul D. Burrow
pp 5721 - 5726; 

GENERAL PHYSICAL CHEMISTRY 
 
A General Thermodynamic and Stoichiometric 
Theory of Stability of Chemical Species
Ilie Fishtik and Ravindra Datta
pp 5727 - 5739;