Journal of Physical Organic Chemistry v.24 n.11 2011

ISSN 0894-3230

New features in 2012 – artwork on the cover page and profiles of young physical organic chemists (page 1021)

Article first published online: 21 OCT 2011 | DOI: 10.1002/poc.1933

 

Research Articles

Effects of α-cyclopropyl on heterocyclic carbenes stability at DFT (pages 1022–1029)

M.Z. Kassaee, M.R. Momeni, F.A. Shakib, Z. Najafi and H. Zandi

Article first published online: 6 DEC 2010 | DOI: 10.1002/poc.1819

 

Regiospecific naphthyl nitration of 5,10,15,20-tetranaphthylporphyrin (pages 1030–1038)

Jun Li, Gerhard Raabe, Gao-mai Yang, Ming-yue Duan, Giuseppe Mele and Feng-xing Zhang

Article first published online: 6 DEC 2010 | DOI: 10.1002/poc.1822

 

Radical anions containing the dioxidated 1,2,5-thiadiazole heterocycle. Part II(pages 1039–1044)

María Virginia Mirífico, José Alberto Caram, Ana María Gennaro, Carlos J. Cobos and Enrique Julio Vasini

Article first published online: 13 DEC 2010 | DOI: 10.1002/poc.1823

 

Mechanism of the acidic hydrolysis of epichlorohydrin (pages 1045–1050)

Jerzy Gaca, Grażyna Wejnerowska and Piotr Cysewski

Article first published online: 12 JAN 2011 | DOI: 10.1002/poc.1825

 

Synthesis of spin labelled silica and EPR molecular dynamics study at silica–polymer interfaces (pages 1051–1057)

D. Dondi, F. Pepori, A. Buttafava, M.F. Ottaviani and A. Faucitano

Article first published online: 6 JAN 2011 | DOI: 10.1002/poc.1826

 

Remote substituent effects on homolytic Fe C bond energies of p-G-C₆H₄CH₂Fe(CO)₂(η⁵-C₅H₅) and p-G-C₆H₄(H)(CN)CFe(CO)₂(η⁵-C₅H₅) studied by Hartree–Fock and density functional theory methods (pages 1058–1066)

Qing Zeng and Zucheng Li

Article first published online: 11 JAN 2011 | DOI: 10.1002/poc.1828

 

Inter- and intramolecular hydrogen bonds in polyamines: variable-concentration ¹H-NMR studies (pages 1067–1071)

Norma Sbarbati Nudelman and Cecilia E. Silvana Alvaro

Article first published online: 25 JAN 2011 | DOI: 10.1002/poc.1832

 

Prediction models for the Abraham hydrogen bond donor strength: comparison of semi-empirical, ab initio, and DFT methods (pages 1072–1080)

Johannes A. H. Schwöbel, Ralf-Uwe Ebert, Ralph Kühne and Gerrit Schüürmann

Article first published online: 5 APR 2011 | DOI: 10.1002/poc.1834

 

Basic hydrolysis of quinolinyl N,N-dimethylcarbamates: a two-step mechanism(pages 1081–1087)

Daniel Silva, Fátima Norberto, Susana Santos and Jim Iley

Article first published online: 11 FEB 2011 | DOI: 10.1002/poc.1835

 

Solvophobic effects and relationships between the Gibbs energy and enthalpy for the solvation process (pages 1088–1094)

Igor A. Sedov, Michail A. Stolov and Boris N. Solomonov

Article first published online: 14 APR 2011 | DOI: 10.1002/poc.1859

 

Reaction kinetics investigation of 1-fluoro-2,4-dinitrobenzene with substituted anilines in ethyl acetate–methanol mixtures using linear and nonlinear free energy relationships (pages 1095–1100)

Javad Jamali-Paghaleh, Ali Reza Harifi-Mood and Mohammad Reza Gholami

Article first published online: 9 MAY 2011 | DOI: 10.1002/poc.1861

 

Synthesis and photoinduced electron transfer characteristic of a bis (zinc porphyrin)-perylene bisimide array (pages 1101–1109)

Fuling Wang, Jianguo Tang, Jixian Liu, Yao Wang, Rui Wang, Lin Niu, Linjun Huang and Zhen Huang

Article first published online: 20 MAY 2011 | DOI: 10.1002/poc.1862

 

The key Cl⁻ ligand for metal-to-ligand charge transfer in mononuclear terpyridine ruthenium(II) and binuclear ruthenium(II) tetrapyridylpyrazine complexes (pages 1110–1118)

N. Yoshikawa, S. Yamabe, N. Kanehisa, T. Inoue, H. Takashima and K. Tsukahara

Article first published online: 18 MAY 2011 | DOI: 10.1002/poc.1863

 

Tuning HOMO–LUMO levels: trends leading to the design of 9-fluorenone scaffolds with predictable electronic and optoelectronic properties (pages 1119–1128)

Galen L. Eakins, Joshua S. Alford, Brandon J. Tiegs, Bryan E. Breyfogle and Chad J. Stearman

Article first published online: 3 JUN 2011 | DOI: 10.1002/poc.1864