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

Volume 122, 2010

CONTENTS

2nd International Symposium on Materials (ISMC-2008)

Foreword 5

Multidimensional potential of boron-containing molecules in functional materials Wolfgang Kaim and Narayan S. Hosmane 7–18

Magnetic behaviour in metal–organic frameworks — Some recent examples Partha Mahata, Debajit Sarma and Srinivasan Natarajan 19–35

Synthesis, structure and electrical conductivity of fulvalenium salts of cobalt bis(dicarbollide) anion and its derivatives Vladimir Bregadze, Igor Sivaev, Irina Lobanova, Olga Kazheva, Grigorii Alexandrov, Andrey Kravchenko, Vladimir Starodub, Lev Buravov, Lev Titov and Oleg Dyachenko 37–41

Superconductivity at 31⋅3 K in Yb-doped La(O/F)FeAs superconductors J Prakash, S J Singh, S Patnaik and A K Ganguli 43–46

Molecular tailoring approach for exploring structures, energetics and properties of clusters Shridhar R Gadre, K V Jovan Jose and Anuja P Rahalkar 47–56

Development of gas sensors using ZnO nanostructures S K Gupta, Aditee Joshi and Manmeet Kaur 57–62

One-pot, three-component synthesis of highly substituted pyridines and 1,4-dihydropyridines by using nanocrystalline magnesium oxide M Lakshmi Kantam, Koosam Mahendar and Suresh Bhargava 63–69

Microwave-assisted low temperature synthesis of sodium zirconium phosphate (NZP) and the leachability of some selected fission products incorporated in its structure – A case study of leachability of cesium A H Naik, S B Deb, A B Chalke, M K Saxena, K L Ramakumar, V Venugopal and S R Dharwadkar 71–82

Kinetics of solid state phase transformations: Measurement and modelling of some basic issues S Raju and E Mohandas 83–89

Perspective Articles

Emerging trends at the interface of chemistry and biology: Applications to the design of human therapeutics and 97–107

Supramolecular chemistry and crystal engineering Ashwini Nangia 295–310

i ii Volume Contents

Lewis acidic metal catalysed organic transformations by designed multi-component structures and assemblies Afsar Ali, Amit P Singh and Rajeev Gupta 311–320

Interplay between multiple length and time scales in complex chemical systems and 459–470

Full Papers

Ternary mixtures of alkyltriphenylphosphonium bromides (C12TPB, C14TPB and C16TPB) in aqueous medium: their interfacial, bulk and fluorescence quenching behaviour Gargi Basu Ray, Soumen Ghosh and Satya P Moulik 109–117

Synthesis, photophysical and electrochemical properties of 2,8-diaryl-dibenzothiophene derivatives for organic electronics Pabitra K Nayak, Neeraj Agarwal and N Periasamy 119–124

Synthesis of novel spiro-β-lactams Renu Arora, P Venugopalan and S S Bari 125–135

Suzuki–Miyaura, Mizoroki–Heck carbon–carbon coupling and hydrogenation reactions catalysed II I t by Pd and Rh complexes containing cyclodiphosphazane cis-{ BuNP(OC6H4OMe-o)}2 Sasmita Mohanty and Maravanji S Balakrishna 137–142

Copper-catalysed N-arylation of arylsulfonamides with aryl bromides and aryl iodides using KF/Al2O3 Rahman Hosseinzadeh, Mahmood Tajbakhsh, Maryam Mohadjerani and Mohammad Alikarami 143–148

Palladium-catalysed ortho arylation of acetanilides Guo-Zhen Zhang, Cheng-Qun Chen, Xin-Hua Feng and Guo-Sheng Huang 149–155

Synthesis and conformational features of sym N,N′,N″-triarylguanidines Kanniyappan Gopi, Brijesh Rathi and Natesan Thirupathi 157–167

Synthesis, evaluation and molecular modelling studies of some novel 3-(3,4-dihydroisoquinolin- 2(1H)-yl)-N-(substituted-phenyl) propanamides as HIV-1 non-nucleoside reverse transcriptase inhibitors S Murugesan, Swastika Ganguly and Giovanni Maga 169–176

Synthesis, characterization and anti-bacterial activity of 5-(alkenyl)-2-amino- and 2-(alkenyl)-5- phenyl-1,3,4-oxadiazoles Mudasir R Banday, Rayees H Mattoo and Abdul Rauf 177–182

Microwave-assisted synthesis of photochromic fulgides Sivasankaran Nithyanandan, Chinnusamy Saravanan, Sengodan Senthil and Palaninathan Kannan 183–188

An environmentally benign three component one-pot synthesis of amidoalkyl naphthols using H4SiW12O40 as a recyclable catalyst Amit R Supale and Gavisiddappa S Gokavi 189–192

Vapour phase synthesis of salol over solid acids via transesterification S Z Mohamed Shamshuddin and N Nagaraju 193–201

Development of 3-methoxy-4-benzyloxybenzyl alcohol (MBBA) resin as polymer-supported synthesis support: Preparation and benzyl ether cleavage by DDQ oxidation Qiang Huang , Bao-Zhong Zheng and Quan Long 203–207

Volume Contents iii

Controlled release of 5-flurouracil from biomedical polyurethanes Reddy Seetharamareddy Harisha, Kallappa Mahadevappa Hosamani, Rangappa Sangappa Keri, Namdev Shelke, Vijay Kumar Wadi and Tejaraj M Aminabhavi 209–216

A new chromogenic agent for iron(III): Synthesis, structure and spectroscopic studies Chandrama Basu, Santanu Chowdhury, Helen Stoeckli-Evans and Soma Mukherjee 217–223

Pulse radiolytic studies on cis-dichlorobis(1,10-phenanthroline-5,6-dione)Cobalt(III) complex Vitthal A Kawade, Smita Ghosh, Avinash V Sapre and Avinash S Kumbhar 225–232

Structural and electrochemical properties of β-tetrabromo-meso-tetrakis(4-alkyloxyphenyl) porphyrins and their metal complexes P Bhyrappa and C Arunkumar 233–238

Synthesis, characterization and spectrochemical studies on a few binuclear μ-oxo molybdenum(V) complexes of pyrimidine derived Schiff-base ligands Samik Gupta, Somnath Roy, Tarak Nath Mandal, Kinsuk Das, Sangita Ray, Ray J Butcher and Susanta Kumar Kar 239–245

DNA minor groove binding of small molecules: Experimental and computational evidence Prateek Pandya, Md Maidul Islam, G Suresh Kumar, B Jayaram and Surat Kumar 247–257

+ A comparative study of the spectroscopic features of the low-lying electronic states of H2F and + H2Cl ions Anjan Chattopadhyay 259–269

Direct electrochemistry of hemoglobin entrapped in dextran film on carbon ionic liquid electrode Xiaoqing Li, Yan Wang, Xiaoying Sun, Tianrong Zhan and Wei Sun 271–278

Influence of magnetic field on the electrodeposition of Ni–Co alloy Mehdi Ebadi, W J Basirun and Yatimah Alias 279–285

Errata 287

Anaerobic DNA cleavage in red light by dicopper(II) complexes on disulphide bond activation Debojyoti Lahiri, Ritankar Majumdar, Ashis K Patra and Akhil R Chakravarty 321–333

Studies on electron transfer reactions: Reduction of heteropoly 10-tungstodivanadophosphate by thioglycolic acid in aqueous medium Ponnusamy Sami, Natarajan Mariselvi, Kandasamy Venkateshwari, Arunachalam Sarathi and Kasi Rajasekaran 335–340

Adsorption of DOPC vesicles on hydrophobic substrates in the presence of electrolytes: A QCM and reflectometry study G Edward Gnana Jothi, S Kamatchi and A Dhathathreyan 341–348

Physicochemistry of hexadecylammonium bromide and its methyl and ethanolic head group analogues in buffered aqueous and gelatin solution Debolina Mitra and Satya P Moulik 349–362

A theoretical study of the carbenoids LiCH2X (X = Cl, Br, I) cyclopropanation reaction with ketene Xing Hui Zhang, Fu Long Zhang and Zhi Yuan Geng 363–369

Thermal and hydrothermal stability of ZrMCM-41 mesoporous molecular sieves obtained by microwave irradiation T S Jiang, Y H Li, X P Zhou, Q Zhao and H B Yin 371–379 iv Volume Contents

A solid-polymer-electrolyte direct methanol fuel cell (DMFC) with Pt–Ru nanoparticles supported onto poly(3,4-ethylenedioxythiophene) and polystyrene sulphonic acid polymer composite as anode K K Tintula, S Pitchumani, P Sridhar and A K Shukla 381–389

Studies on interaction between CdTe quantum dots and α-chymotrypsin by molecular spectroscopy Jianniao Tian, Shengzhi Wei, Yanchun Zhao, Rongjun Liu and Shulin Zhao 391–400

Electrochemical investigation of NO at single-wall carbon nanotubes modified electrodes Tingliang Xia, Hongmei Bi and Keying Shi 401–408

Synthesis and characterization of N-phosphorylated thioureas RNHC(S)NHP(O)(OiPr)2 (R = 2- MeC6H4, 2,6-Me2C6H3, 2,4,6-Me3C6H2) Damir A Safin, Maria G Babashkina, Michael Bolte and Axel Klein 409–413

An efficient one-pot synthesis of novel pyrazolophthalazinyl spirooxindoles Gnanamani Shanthi and Paramasivan T Perumal 415–421

Titanium(III) chloride mediated synthesis of furan derivatives: Synthesis of (±)-evodone S K Mandal, M Paira and S C Roy 423–426

Multicomponent, solvent-free synthesis of 12-aryl-8,9,10,12-tetrahydrobenzo[a]-xanthen-11-one derivatives catalysed by cyanuric chloride Zhan-Hui Zhang, Peng Zhang, Shu-Hong Yang, Hong-Juan Wang and Jia Deng 427–432

Total synthesis of (±)-divanillyltetrahydrofuran ferulate Ya-Mu Xia, Jia You and Qi Wang 433–436

A novel and an efficient catalyst for one-pot synthesis of 2,4,5-trisubstituted imidazoles by using microwave irradiation under solvent-free conditions Javad Safari, Shiva Dehghan Khalili and Sayed Hossein Banitaba 437–441

Synthesis and antiulcer activity of 2-[5-substituted-1-H-benzo(d) imidazol-2-yl sulfinyl]methyl-3- substituted quinazoline-4-(3H) ones Avinash Patil, Swastika Ganguly and Sanjay Surana 443–450

Editor’s note 451

Study of multi-site chemical exchange in solution state by NMR: 1D experiments with multiply selective excitation Samanwita Pal 471–480

Excited state intramolecular charge transfer reaction of 4-(morpholenyl) benzonitrile in solution: Effects of hetero atom in the donor moiety Tuhin Pradhan, Harun Al Rasid Gazi and Ranjit Biswas 481–490

– + A quantum-classical simulation of the nuclear dynamics in NO2 and C6H6 with realistic model Hamiltonian Subhankar Sardar, Amit Kumar Paul and Satrajit Adhikari 491–510

NIR–FT Raman, FT–IR and surface-enhanced Raman scattering and DFT based theoretical studies on the adsorption behaviour of (S)-Phenylsuccinic acid on silver nanoparticles D Sajan, V Bena Jothy, Thomas Kuruvilla and I Hubert Joe 511–519

The solvent and substituent effects on bond dissociation energies of NO-donor molecules containing the N–NO bond Li Xiao-Hong, Li Wei-Bin and Zhang Xian-Zhou 521–527

Volume Contents v

Manganese-mediated ferromagnetism in La2Fe1–xMn2xCr1–xO6 perovskite oxides R M Tiwari, Mrudul Gadhvi, Abanti Nag, N Y Vasanthacharya and J Gopalakrishnan 529–538

Synthesis, characterization, ab initio calculations, thermal behaviour and thermodynamics of some oxovanadium(IV) complexes involving O,O- and N,N-donor moieties Mozaffar Asadi, Mohammad Hadi Ghatee, Susan Torabi, Khosro Mohammadi and Fatemeh Moosavi 539–548

N-2,4-Dichlorobenzoyl phosphoric triamides: Synthesis, spectroscopic and X-ray crystallography studies Khodayar Gholivand, Nasrin Oroujzadeh and Zahra Shariatinia 549–559

Chiral trans-1,2-diaminocyclohexane derivatives as chiral solvating agents for carboxylic acids Mariappan Periasamy, Manasi Dalai and Meduri Padmaja 561–569

Generation of nitryl chloride from chlorotrimethylsilane-acetyl nitrate reaction: A one-pot preparation of gem-chloronitro compounds from oximes Abdulkarim H A Mohammed and Gopalpur Nagendrappa 571–577

Conformation of hindered piperidines: Spectroscopic evidence for contribution of boat conformations A Thangamani, J Jayabharathi and A Manimekalai 579–586

Efficient microwave irradiation enhanced stereoselective synthesis and antitumor activity of indo- lylchalcones and their pyrazoline analogs Magdy A H Zahran, Hanan F Salama, Yasmin G Abdin and Amira M Gamal-Eldeen 587–595

Facile synthesis of novel benzotriazole derivatives and their antibacterial activities Jun Wan, Peng-Cheng Lv, Na-Na Tian and Hai-Liang Zhu 597–606

Polyethylene glycol: A recyclable solvent system for the synthesis of benzimidazole derivatives using CAN as catalyst Mazaahir Kidwai, Anwar Jahan and Divya Bhatnagar 607–612

Gas phase toluene isopropylation over high silica mordenite Sreedevi Upadhyayula 613–619

Catalytic synthesis of 2-methylpyrazine over Cr-promoted copper based catalyst via a cyclo- dehydrogenation reaction route Fangli Jing, Yuanyuan Zhang, Shizhong Luo, Wei Chu, Hui Zhang and Xinyu Shi 621–630

A new Cd(II)-containing ionic liquid: Synthesis, characterization and electrocatalysis RuiRui Zhuang, FangRang Jian and KeFei Wang 631–637

Tungstate as a synergist to phosphonate-based formulation for corrosion control of carbon steel in nearly neutral aqueous environment B V Appa Rao, M Venkateswara Rao, S Srinivasa Rao and B Sreedhar 639–649

Controlled release of diclofenac sodium from pH-responsive carrageenan-g-poly(acrylic acid) superabsorbent hydrogel Hossein Hosseinzadeh 651–659

An asymmetric route to 2,3-epoxy-syn-1,4-cyclohexane diol derivatives using ring closing metathesis (RCM) Soumitra Maity and Subrata Ghosh 791–800 vi Volume Contents

Fabrication of supramolecular frameworks by tuning the binding site of a tripodal ligand with d10 metal ions: Interplay of covalent and non-covalent interactions in solid-state structure Debajyoti Ghoshal and Tapas Kumar Maji 801–806

Synthesis and characterization of Ruddlesden–Popper (RP) type phase LaSr2MnCrO7 Devinder Singh and Rajinder Singh 807–811

Synthesis and aggregation study of optically active tetra-β-[(S)-2-octanyloxy]-substituted copper and nickel phthalocyanines Fang-Di Cong, Gui Gao, Jian-Xin Li, Guo-Qing Huang,Zhen Wei, Feng-Yang Yu, Xi-Guang Du and Ke-Zhi Xing 813–818

Synthesis and anti-inflammatory activity of 3-indolyl pyridine derivatives through one-pot multi component reaction Prakasam Thirumurugan, S Mahalaxmi and Paramasivan T Perumal 819–832

Simple synthesis and biological evaluation of flocoumafen and its structural isomers Jae-Chul Jung, Soyong Jang, Seikwan Oh and Oee-Sook Park 833–838

A novel perylene diimide-based tetrahedral molecule: Synthesis, characterization and self- assembly with gold nanoparticles Jun-Bo Li, Xiang-Lin Yu, Jing Fu, Xiwen Liu and Yang Zeng 839–846

Blue and white light electroluminescence in a multilayer OLED using a new aluminium complex Pabitra K Nayak, Neeraj Agarwal, Farman Ali, Meghan P Patankar, K L Narasimhan and N Periasamy 847–855

Relaxation of the excited N-(2-hydroxy benzylidene) aniline molecule: An ab initio and TD DFT study Biswajit Chowdhury, Rina De, Pinaky Sett and Joydeep Chowdhury 857–865

Physicochemical studies on ion-pair amphiphiles: Solution and interfacial behaviour of systems derived from sodium dodecylsulfate and n-alkyltrimethylammonium bromide homologues Kajari Maiti, Subhash C Bhattacharya, Satya P Moulik and Amiya K Panda 867–879

Directed 2-dimensional organisation of collagen: Role of cross-linking and denaturing agents

Nishtar Nishad Fathima, Aruna Dhathathreyan and 881–889

Mechanistic investigation on the oxidation of kinetin by Ag(III) periodate complex in aqueous alkaline media: A kinetic approach S D Lamani, A M Tatagar and S T Nandibewoor 891–900

Theoretical study of nucleophilic halogenalkylation of propylene oxide with halogenmethane and dihalogenmethane anion Tao Liu, Xiang-Chen Yin, Guo-Dong Liu and Zhang-Yu Yu 901–909

Gold electrode modified by self-assembled monolayers of thiols to determine DNA sequences hybridization Mízia M S Silva, Igor T Cavalcanti, M Fátima Barroso, M Goreti, F Sales and Rosa Fireman Dutra 911–917

Voltammetric determination of theophylline at a Nafion/multi-wall carbon nanotubes composite film-modified glassy carbon electrode Suling Yang, Ran Yang, Gang Li, Jianjun Li and Lingbo Qu 919–926

Volume Contents vii

Special issue on Organic and Related Solids

Foreword 665

Crystal engineering: A brief overview Gautam R Desiraju 667–675

Analysis of Cl…Cl and C–H…Cl intermolecular interactions involving chlorine in substituted 2- chloroquinoline derivatives Venkatesha R Hathwar, S Mohana Roopan, R Subashini, F Nawaz Khan and T N Guru Row 677–685

Synthesis and structure of diorganotin dibromides, R2SnBr2 (R = 2,4,6-trimethylphenyl or 2,4,6- trimethylbenzyl): Hydrolysis of (2,4,6-Me3C6H2)2SnBr2 and Ramalingam Thirumoorthi 687–695

A novel tetraarylpyrene host: Conformation-dependent inclusion of guest molecules in the crystal lattice Palani Natarajan, Paloth Venugopalan and 697–706

Assembling one-dimensional coordination polymers into three-dimensional architectures via hydrogen bonds Lalit Rajput, Madhushree Sarkar and Kumar Biradha 707–720

Powder diffraction in structural characterization of dienediaminoketones of the indolin-3-one series Vladimir V Chernyshev and Natalia S Monakhova 721–729

A simple coordination complex exhibiting colour change on slight structural modification: II Synthesis and crystal structures of violet and yellow forms of [Ni (opda)2(NCS)2] (opda = ortho- phenylenediamine) Sabbani Supriya and Samar K Das 731–737

Weak C–H⋅⋅⋅F–C interactions in carboxylate anion binding: Synthesis, spectroscopic and X-ray structural studies of [Co(phen)2CO3]2(C7H3O2FCl)Cl⋅11H2O and [Co(phen)2CO3](C7H3NO4Cl)⋅ 6H2O A Singh, R P Sharma, T Aree and P Venugopalan 739–750

Distinguishing crystallite size effects from those of structural disorder on the powder X-ray diffraction patterns of layered materials Sylvia Britto, Sumy Joseph and P Vishnu Kamath 751–756

Crystallization of copper(II) sulfate based minerals and MOF from solution: Chemical insights into the supramolecular interactions M Singh, D Kumar, J Thomas and A Ramanan 757–769

Effect of metal ion doping on the photocatalytic activity of aluminophosphates Avijit Kumar Paul, Manikanda Prabu, and Srinivasan Natarajan 771–785

Subject Index 927–943

Author Index 944–951