Indian Journal of Chemistry

Sect. A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical

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VOLUME 49A

NUMBER 11

November 2010

CONTENTS

Rapid Communication

 

1441

 

Bio-analogous electrode for oxygen reduction reaction

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

A V Prakash, P Indra Neel & B Viswanathan*

 

 

 

 

A bio-analogous electrode consisting of a segment of single strand DNA-Zn porphyrin-Pt on carbon has been designed and fabricated. The system shows good oxygen reduction reaction activity even at as low as 1 wt.% Pt.

 

 

 

Papers

 

1444

 

1,3-dipolar cycloadditions. Part XX. DFT study
of the configuration and conformation of
C-aryl-N-phenyl nitrones and their reactivities as 1,3-dipoles to methyl and ethyl crotonates

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Nivedita Acharjee & Avijit Banerji*

 

 

 

 

The DFT based reactivity indices correctly predict the favorable interactions involved in the cycloaddition pathway of
C-aryl-N-phenyl nitrones to methyl and ethyl crotonates and can be utilized to rationalize the experimentally observed regioselectivities of these cycloaddition reactions.

 

 

 

 

 

 

1453

 

Novel triblock conducting copolymer: A theoretical study

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Swati Agrawal & A K Bakhshi*

 

 

 

 

The electronic structures and conduction properties of a three- component copolymer (AmBnCk)x, comprising repeat units
of poly(dicyanomethylenedi-(1,1-difluorocyclopentadiene)),
poly-difluoromethylene-cyclopentadifuran and poly-4-H-cyclo-pentadithiophene-4-one, is studied by NFC method taking into account multi-neighbour interactions. Increasing block size of all the components results in copolymers with better conductivity.

 

 

 

1461

 

Electronic structures of the electron donor-acceptor complexes of fullerenes C60 and C70 with azulene
and some of its derivatives employing ab initio
and DFT methods

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Tapas Manna, Shrabanti Banerjee &
Sumanta Bhattacharya*

 

 

 

The LUMO state of electron donor-acceptor complexes of
C60/ C70 with some azulenes is localized on the fullerene moiety, while the HOMO state is positioned on the azulenes. The energy difference of the localized LUMO levels depends strongly on the functional group attached to the azulene and the structure of the fullerene-azulene molecular complexes.

 

 

1468

 

Synthesis, characterization and properties of a water-rich calcium(II) 4-nitrobenzoate

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Bikshandarkoil R Srinivasan*, Santosh Y Shetgaonkar, Sabeta Kohli & Rajnikant

 

 

 

 

Aqueous reaction of [Ca(H2O)4(4-nba)2] with 2-aminopyridine results in the formation of a water-rich Ca(II) compound, [Ca(H2O)6(4-nba)](4-nba)(2-ap)H2O.

 

 

Notes

 

1478

 

Synthesis, crystal structure and characterization of an organically templated cobalt phosphate supramolecule

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Xiaoyan You & Lixia Zhu*

 

 

 

[Co(H2O)6]2[HPO4]42(C2N2H10) comprises a pseudo-open framework architecture with one-dimensional channels made of alternate hydrogen-bonded metal octahedrons and phosphate tetrahedrons. Diprotonated ethylenediamine molecules reside in the spacing of the framework and compensate the charge balance to make the crystal structure stable.

 

1483

 

Oxidation kinetics of arylthioureas by cetyltrimethylammonium dichromate

 

 

 

 

 

 

 

 

 

 

 

 

Prangya Rani Sahoo, Sandhyamayee Sahu,
Sabita Patel & B K Mishra*

 

 

 

Arylthioureas, on oxidation by cetyltrimethylammonium dichromate in acetic acid, undergo desulphurization to the corresponding non-toxic arylureas. The rate of reaction is found to be dependent on [CTADC], [phenylthiourea], [acid], [surfactant], polarity of the solvents and reaction temperature.

 

 

 

 

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