Journal of Chemical Sciences [Formerly: Proceedings of the Indian Academy of Sciences (Chemical Sciences)]

Volume 120, 2008

CONTENTS

Special Issue on Chemical Research Society of India – Tenth Anniversary

Foreword 7

Graphene-based electrochemical supercapacitors S R C Vivekchand, Chandra Sekhar Rout, K S Subrahmanyam, A Govindaraj and C N R Rao 9–13

Ultrafast fluorescence resonance energy transfer in a bile salt aggregate: Excitation wavelength dependence Ujjwal Mandal, Subhadip Ghosh, Dibyendu Kumar Das, Aniruddha Adhikari, Shantanu Dey and Kankan Bhattacharyya 15–23

Analysis of polypyrrole-coated stainless steel electrodes – Estimation of specific capacitances and construction of equivalent circuits R Ramya and M V Sangaranarayanan 25–31

Quantum–classical correspondence of a field induced KAM-type transition: A QTM approach P K Chattaraj, S Sengupta and S Giri 33–37

Self assembly of C-methyl resorcin[4]arene with coumarin and thiocoumarin: A nanotubular array with a near perfect lock and key fit Lepakshaiah Mahalakshmi, Partha P Das and Tayur N Guru Row 39–44

Relaxation dynamics in the excited states of a ketocyanine dye probed by femtosecond transient absorption spectroscopy Jahur A Mondal, Sandeep Verma, Hirendra N Ghosh and Dipak K Palit 45–55

General approaches in ensemble quantum computing V Vimalan and N Chandrakumar 57–69

Effects of ion concentration on the hydrogen bonded structure of water in the vicinity of ions in aqueous NaCl solutions A Nag, D Chakraborty and A Chandra 71–77

Growth of anisotropic gold nanostructures on conducting glass surfaces P R Sajanlal and T Pradeep 79–85

III II III I II I Oximato bridged Rh 2M and Rh M species (M = Mn, Co, Ni; M = Cu, Ag) Indranil Bhattacharyya, Sanjib Ganguly, Bikash Kumar Panda and Animesh Chakravorty 87–93

Two different zinc(II)-aqua complexes held up by a metal-oxide based support: Synthesis, crystal structure and catalytic activity of [HMTAH]2[{Zn(H2O)5}{Zn(H2O)4}{Mo7O24}]⋅2H2O (HMTAH = protonated hexa- methylenetetramine) T Arumuganathan, A Srinivasarao, T Vijay Kumar and Samar K Das 95–103

i ii Volume Contents

Multi-functional architectures supported on organostannoxane scaffolds V Chandrasekhar, P Sasikumar, P Singh, R Thirumoorthi and T Senapati 105–113

Cyclic porphyrin dimers as hosts for coordinating ligands G Vaijayanthimala, V Krishnan and S K Mandal 115–129

Facile one-pot synthesis of functionalized organophosphonate esters via ketone insertion into bulky arylphosphites Ramaswamy Murugavel and Subramaniam Kuppuswamy 131–136

Expanded porphyrins as third order non-linear optical materials: Some structure–function correlations Sabapathi Gokulnath and Tavarekere K Chandrashekar 137–142

Effect of thione–thiol tautomerism on the inhibition of lactoperoxidase by anti-thyroid drugs and their ana- logues P N Jayaram, Gouriprasanna Roy and Govindasamy Mugesh 143–154

Facilitation of peptide fibre formation by arginine-phosphate/carboxylate interactions K Krishna Prasad and Sandeep Verma 155–162

Propargyloxycarbonyl as a protecting group for the side chains of serine, threonine and tyrosine Ramapanicker Ramesh, Kavita De, Shipra Gupta and Srinivasan Chandrasekaran 163–173

Efficient resolution of (±)-trans-2,3-diphenylpiperazine using (1S)-(+)-10-camphorsulfonic acid and enrich- ment of enantiomeric purity of non-racemic 2,3-diphenylpiperazine using different achiral acids Pothiappan Vairaprakash and Mariappan Periasamy 175–179

Significant improvement in the pore properties of SBA-15 brought about by carboxylic acids and hydro- thermal treatment Milan Kanti Naskar and M Eswaramoorthy 181–186

Understanding the folding process of synthetic polymers by small-molecule folding agents S G Ramkumar and S Ramakrishnan 187–194

A kinetic analysis of the tumor-associated galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D- galactopyranoside antigen–lectin interaction Bandaru Narasimha Murthy and Narayanaswamy Jayaraman 195–203

Synthetic studies on taxanes: A domino–enyne metathesis/Diels–Alder approach to the AB-ring Krishna P Kaliappan, Velayutham Ravikumar and Sandip A Pujari 205–216

Three-dimensional hybrid networks based on aspartic acid Anupama Ghosh and R A Sanguramath 217–222

Full Papers

Regio and stereoselectivity in ionic cycloadditions Venkatachalam Tamilmani, Durairajan Senthilnathan and Ponnambalam Venuvanalingam 225–236

Influence of alkali and alkaline earth ions on the O-alkylation of the lower rim phenolic-OH groups of p- tert-butyl-calix[4]arene to result in amide-pendants: Template action of K+ and the structure of K+ bound tetra-amide derivative crystallized with a p-tert-butyl-calix[4]arene anion Amjad Ali, Chebrolu P Rao and Philippe Guionneau 237–247

Volume Contents iii

A one-dimensional barium(II) coordination polymer with a coordinated nitro group of 2-nitrobenzoate Bikshandarkoil R Srinivasan, Santosh Y Shetgaonkar and Pallepogu Raghavaiah 249–257

Synthesis and characterization of new meso-substituted unsymmetrical metalloporphyrins Babasaheeb P Bandgar and Pradip B Gujarathi 259–266

Analysis of urinary stone constituents using powder X-ray diffraction and FT–IR Pragnya A Bhatt and Parimal Paul 267–273

Structural transition in alcohol–water binary mixtures: A spectroscopic study Tuhin Pradhan, Piue Ghoshal and Ranjit Biswas 275–287

Studies on the thermal decomposition kinetics of LiPF6 and LiBC4O8 Li Shi-You, Ma Pei-Hua, Cui Xiao-Ling, Ren Qi-Du and Li Fa-Qiang 289–292

Non-covalent O⋅⋅⋅O interactions among isopolyanions using a cis-{MoO2} moiety by the assistance of N–H⋅⋅⋅O hydrogen bonds T Arumuganathan, A Srinivasa Rao and Samar K Das 297–304

Tris(dithiocarboxylato)indium(III): Thermal studies and crystal structure of [In(S2Ctol)3] Shamik Ghoshal, Nisha P Kushwah, Manoj K Pal, Vimal K Jain and Munirathinam Nethaji 305–308

Preparation, crystal structure, and characterization of an inorganic–organic hybrid polyoxoniobate [Cu(en)2]3[Cu(en)2(H2O)]1⋅5[K0⋅5Nb24O72H14⋅5]2⋅25H2O Jing-Ping Wang, Hong-Yu Niu and Jing-Yang Niu 309–313

Density functional theory study of vibrational spectra, and assignment of fundamental modes of dacarba- zine S Gunasekaran, S Kumaresan, R Arunbalaji, G Anand and S Srinivasan 315–324

Guest–host interactions in the cleavage of phenylphenyl acetates by β-cyclodextrin in alkaline medium V Raj, T Chandrakala and K Rajasekaran 325–328

The ribose and glycine Maillard reaction in the interstellar medium (ISM): A theoretical study Abraham F Jalbout and Md. Abul Haider Shipar 329–337

β-Enaminonitriles in heterocylic synthesis: Synthesis of new tetrahydropyridinethione, pyridopyrimidines, pyridotriazines and dihydropyridines Ibrahim Saad Abdel Hafiz, Mahmoud Mohamed Mahfouz Ramiz, Fivian Farok Mahmoud and Elham Sayed Darwish 339–345

Microwave-assisted efficient oxidation of internal alkynes to 1,2-diaryldiketones with DMSO/I2 Min Chen, Qin Zhao, De-Bing She, Ming-Yu Yang, Hao-Hao Hui and Guo-Sheng Huang 347–351

Synthesis, photoluminescence and electrochemical properties of 2,7-diarylfluorene derivatives Neeraj Agarwal, Pabitra K Nayak and N Periasamy 355–362

Phosphorus–nitrogen compounds: Part 15. Synthesis, anisochronism and the relationship between crystal- lographic and spectral data of monotopic spiro-crypta phosphazenes Nuran Asmafılız, Elıf Ece Ilter, Zeynel Kılıç, Tuncer Hökelek and Ertan Şahin 363–376

Coordination equilibria in the complex formation of guanylurea with CuII: Formation and stability of binary CuII-guanylurea and ternary CuII-guanylurea–glycinate complexes Tannistha Roy Barman and G N Mukherjee 377–390 iv Volume Contents

High stereoselective cyclopropanation reaction of 3-acylcoumarins with α-bromoketones at room tempera- ture Qin Zhao, Min Chen, Hao-Hao Hui, De-Bing She, Ming-Yu Yang and Guo-Sheng Huang 391–394

Assessing ligand efficiencies using template-based molecular docking and Tabu-clustering on tetrahydro- imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one and -thione (TIBO) derivatives as HIV-1RT inhibitors Nitin S Sapre, Swagata Gupta and Neelima Sapre 395–404

Surface enhanced Raman spectra of the organic nonlinear optic material: Methyl 3-(4-methoxy phenyl) prop-2-enoate D Sajan, I Hubert Joe, V S Jayakumar and Jacek Zaleski 405–410

Hydrolytic cleavage of bis(p-nitrophenyl) phosphate by Schiff base MnIII complexes containing morpholine pendants in Gemini 16–6–16 micelles Weidong Jiang, Bin Xu, Junbo Zhong, Jianzhang Li and Fuan Liu 411–417

Microdetermination of human serum albumin by differential pulse voltammetry at a L-cysteine modified silver electrode Liyuan Lu, Yanqin Zi and Hongling Wang 419–424

Ir/Sn dual-reagent catalysis towards highly selective alkylation of arenes and heteroarenes with benzyl alcohols Sujit Roy, Susmita Podder and Joyanta Choudhury 429–439

Palladium and platinum complexes of 2-(2′-carboxyphenylazo)-4-methylphenol: Synthesis, structure and spectral properties Sarmistha Halder, Michael G B Drew and Samaresh Bhattacharya 441–446

Two-dimensional supramolecular networks via C–H⋅⋅⋅Cl and N–H⋅⋅⋅Cl interactions utilizing bidentate neu- II tral pyridine amide coordinated Mn Cl2 tectons Wilson Jacob and Rabindranath Mukherjee 447–453

Functionalized zinc porphyrin as light harvester in dye sensitized solar cells L Giribabu, Ch Vijay Kumar, M Raghavender, K Somaiah, P Yella Reddy and P Venkateswara Rao 455–462

Ceric ammonium nitrate catalysed three component one-pot efficient synthesis of 2,4,5-triaryl-1H- imidazoles Jaiprakash N Sangshetti, Nagnnath D Kokare, Sandeep A Kotharkara and Devanand B Shinde 463–467

Synthesis and antimicrobial activity of 4′,5,7-trihydroxy-3′-prenylflavanone Adiana Mohamed Adib, Farediah Ahmad and Muhammad Sum Idris 469–473

Micellar catalysis in the retro-Knoevenagel reaction of ethyl-α-cyanocinnamates K Rajasekaran, A Sarathi and S Ramalakshmi 475–480

Preparation and characterization of a novel benzimidazolium Brønsted acidic ionic liquid and its applica- tion in esterifications Shuan-Hu Chen, Qiong Zhao and Xue-Wang Xu 481–483

Preparation and characterization of free-standing pure porphyrin nanoparticles Arun Kumar Perepogu and Prakriti Ranjan Bangal 485–491

A study of nanostructured gold modified glassy carbon electrode for the determination of trace Cr(VI) Benzhi Liu, Liyuan Lu, Min Wang and Yanqin Zi 493–498

Volume Contents v

Special Issue on New Directions of Research in Molecules and Materials

Foreword 505

Facially amphiphilic thiol capped gold and silver nanoparticles Shreedhar Bhat and Uday Maitra 507–513

Synthesis of silver nanoparticles by sophorolipids: Effect of temperature and sophorolipid structure on the size of particles M B Kasture, P Patel, A A Prabhune, C V Ramana, A A Kulkarni and B L V Prasad 515–520

Role of carboxylate ion and metal oxidation state on the morphology and magnetic properties of nanostruc- tured metal carboxylates and their decomposition products Aparna Ganguly, Rituparna Kundu, Kandalam V Ramanujachary, Samuel E Lofland, Dipankar Das, N Y Vasanthacharya, Tokeer Ahmad and Ashok K Ganguli 521–528

Nanostructured phosphomolybdates J Thomas, K R Kannan and A Ramanan 529–536

Removal of phase transfer agent leads to restricted dynamics of alkyl chains in monolayer protected clus- ters V R Rajeev Kumar, R Mukhopadhyay and T Pradeep 537–546 p-Aminoacetanilide mediated formation of assembly of Au nanoparticles Subhojit Das, A Murugadoss, Santu Sarkar and Arun Chattopadhyay 547–555

Synthesis and spectroscopic study of high quality alloy CdxZn1–xS nanocrystals Suparna Sadhu and Amitava Patra 557–564

Tuning of Ag-SPR band position in refractive index controlled inorganic–organic hybrid SiO2–PEO–TiO2 films Samar Kumar Medda, Moumita Mitra and Goutam De 565–572

Two approaches for enhancing the hydrogenation properties of palladium: Metal nanoparticle and thin film over layers Manika Khanuja, B R Mehta and S M Shivaprasad 573–578

Synthesis of agarose–metal/semiconductor nanoparticles having superior bacteriocidal activity and their simple conversion to metal-carbon composites K K R Datta, B Srinivasan, H Balaram and M Eswaramoorthy 579–586

Investigation of hybrid molecular material prepared by ionic liquid and polyoxometalate anion T Rajkumar and G Ranga Rao 587–594

Magnetocaloric effect across the coupled structural and ferromagnetic transition in Pr0⋅1Ce0⋅4Sr0⋅5MnO3 C Madhu and A Sundaresan 595–598

Near-complete phase transfer of single-wall carbon nanotubes by covalent functionalization Bhalchandra Kakade, Sanjay Patil, Bhaskar Sathe, Suresh Gokhale and Vijayamohanan Pillai 599–606

Covalent and non-covalent functionalization and solubilization of double-walled carbon nanotubes in non- polar and aqueous media L S Panchakarla and A Govindaraj 607–611 vi Volume Contents

Charge density analysis of two proton transfer complexes: Understanding hydrogen bonding and determi- nation of in-crystal dipole moments Reji Thomas, Shrinwantu Pal, Ayan Datta, Mariusz K Marchewka, Henryk Ratajczak, Swapan K Pati and G U Kulkarni 613–620

Competition between elastic and chemical effects in the intermixing of Co and Ag on Rh(111) Mighfar Imam, Madhura Marathe and Shobhana Narasimhan 621–626

Molecular modelling of a chemodosimeter for the selective detection of As(III) ion in water Sairam S Mallajosyula, Usha H, Ayan Datta and Swapan K Pati 627–635

Surfactant controlled switching of water-in-oil wetting behaviour of porous silica films grown at oil–water interfaces Manish M Kulkarni, Rajdip Bandyopadhyaya and Ashutosh Sharma 637–643

Subject Index 645–656

Author Index 657–662