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

Volume 123, 2011

CONTENTS

Full Papers

Synthesis, structure and ionic conductivity in scheelite type Li0·5Ce0·5−xLnxMoO4 (x = 0 and 0·25, Ln = Pr, Sm) Dipankar Saha, , Aninda J Bhattacharyya and Tayur N Guru Row 5–13

Laser flash photolysis study on 9-phenylxanthenium tetrafluoroborate: Identification of new features due to the triplet state Sanghamitra Banerjee and Anunay Samanta 15–20

A quasiclassical trajectory analysis of stereodynamics of the H + FCl (v=0– 3, j =0– 3) → HCl + F reaction Xian-Fang Yue and Xiangyang Miao 21–27

Metathesis of carbon dioxide and phenyl isocyanate catalysed by group(IV) metal alkoxides: An experimental and computational study Akshai Kumar and Ashoka G Samuelson 29–36

High spectral response heteroleptic ruthenium (II) complexes as sensitizers for dye sensitized solar cells M Chandrasekharam, Ch Srinivasarao, T Suresh, M Anil Reddy, M Raghavender, G Rajkumar, M Srinivasu and P Yella Reddy 37–46

Ce0·98Pd0·02O2−δ: Recyclable, ligand free palladium(II) catalyst for Heck reaction S R Sanjaykumar, Bhaskar Devu Mukri, Satish Patil, Giridhar Madras and M S Hegde 47–54

Synthesis, properties and supramolecular structure of piperazinediium thiosulfate monohydrate Bikshandarkoil R Srinivasan, Ashish R Naik, Sunder N Dhuri, Christian Näther and Wolfgang Bensch 55–61

Nitration of phenolic compounds and oxidation of hydroquinones using tetrabutylammonium chromate and dichromate under aprotic conditions Ali Reza Pourali and Arezou Goli 63–67

A facile microwave-assisted synthesis of 8,9-cycloalkathieno [3,2-e] [1,2,4]triazolo[1,5-c]pyrimidin- 5(6H)-ones Rajwinder Kaur, D Pran Kishore, B Lakshmi Narayana, K Venkat Rao, C Balakumar, V Rajkumar and A Raghuram Rao 69–73

A versatile and an efficient synthesis of 5-substituted-1H-tetrazoles Madhusudana Reddy Muthukur Bhoje Gowd and Mohamed Afzal Pasha 75–79

Pendant triazole ring assisted mesogen containing side chain liquid crystalline polymethacrylates: Synthesis and characterization T Palani, C Saravanan and P Kannan 81–89

i ii Volume Contents

Special issue on Modern Trends in (MTIC-XIII)

Foreword 95

Silver complexes of 1,2,4-triazole derived N-heterocyclic carbenes: Synthesis, structure and reactivity studies Chandrakanta Dash, Mobin M Shaikh and Prasenjit Ghosh 97–106

Organo-gallium and indium complexes with dithiolate and oxo ligands: Synthesis, structures and applications Vimal K Jain, Amey Wadawale, Nisha P Kushwah and Manoj K Pal 107–112

Aspects of secondary bonding intramolecular interaction in organomercury and organochalcogen derivatives Sagar Sharma, Tapash Chakraborty, Kriti Srivastava and Harkesh B Singh 113–122

Synthesis of first row transition metal carboxylate complexes via ring opening reactions of cyclic anhydrides Jubaraj Bikash Baruah 123–129

Studies on bismuth carboxylates—synthesis and characterization of a new structural form of bismuth(III) dipicolinate O Anjaneyulu and K C Kumara Swamy 131–137

Phenalenyl-based ligand for transition metal chemistry: Application in Henry reaction Arup Mukherjee, Tamal K Sen, Swadhin K Mandal, Daniel Kratzert, Dietmar Stalke, Alexander Döring and Carola Schulzke 139–144

Mononuclear non-heme iron(III) complexes of linear and tripodal tridentate ligands as functional models for catechol dioxygenases: Effect of N-alkyl substitution on regioselectivity and reaction rate Mallayan Palaniandavar and Kusalendiran Visvaganesan 145–162

Cobalt(III)-oxo cubane clusters as catalysts for oxidation of organic substrates Birinchi Kumar Das and Rajesh Chakrabarty 163–173

Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition—A brief account Priyadip Das, Prasenjit Mahato, Amrita Ghosh, Amal K Mandal, Tanmay Banerjee, Sukdeb Saha and Amitava Das 175–186

Synthesis, structure and applications of [cis-dioxomolybdenum(VI)-(ONO)] type complexes Rajan Deepan Chakravarthy and Dillip Kumar Chand 187–199

Re(I) bridged porphyrin dyads, triads and tetrads M Yedukondalu and M Ravikanth 201–214

Structural models of vanadate-dependent haloperoxidases, their reactivity, immobilization on polymer support and catalytic activities Mannar R Maurya 215–228

Polyoxometalates: Toward new materials A Srinivasa Rao, T Arumuganathan, Vaddypally Shivaiah and Samar K Das 229–239

Editor’s Note 241 Volume Contents iii

Self-assembled microtubes and rhodamine 6G functionalized Raman-active gold microrods from 1-hydroxybenzotriazole Ravula Thirupathi and Erode N Prabhakaran 247–254

Self-assembly of azobenzene based side-chain liquid crystalline polymer and n-alkyloxybenzoic acids Kumarasamy Gayathri, Subramanian Balamurugan and Palaninathan Kannan 255–263

Excited state charge transfer reaction in (mixed solvent + electrolyte) systems: Role of reactant–solvent and reactant–ion interactions Harun Al Rasid Gazi and Ranjit Biswas 265–277

Biocatalysis of azidolysis of epoxides: Computational evidences on the role of halohydrin dehalogenase (HheC) Dhurairajan Senthilnathan, Venkatachalam Tamilmani and Ponnambalam Venuvanalingam 279–290

Quasiclassical trajectory study on the integral cross-section and stereodynamics information of the 1 reaction O( D) þ H2 (v=0,j=0)→ OH þ H Tianyun Chen, Ningjiu Zhao, Weiping Zhang, Dongjun Wang and Xinqiang Wang 291–298

þ DFT study of the reactions of Mo and Mo with CO2 in gas phase Deman Han, Guoliang Dai, Hao Chen, Hua Yan, Junyong Wu, Chuanfeng Wang and Aiguo Zhong 299–309

Kinetics and mechanism of the ligand substitution reaction of di-μ-hydroxobis(bipyridyl)dipalladium(II) ion with diethyldithiocarbamate anion in aqueous solution Subhasis Mallick, Biplab K Bera, Subala Mondal, Parnajyoti Karmakar, Arup Mandal and Alak K Ghosh 311–318

Synthesis, spectroscopic characterization and catalytic oxidation properties of ONO/ONS donor Schiff base ruthenium(III) complexes containing PPh3/AsPh3 S Priyarega, M Muthu Tamizh, R Karvembu, R Prabhakaran and K Natarajan 319–325

An efficient asymmetric synthesis of (–)-wodeshiol Soon Ho Lee, Jae-Chul Jung and Oee Sook Park 327–330

Diethylamine functionalized polyethylene glycol as a novel and efficient catalyst for Knoevenagel condensation Wen Ye, Hong Jiang and Xian-Cao Yang 331–334

Design, synthesis and antidiabetic evaluation of oxazolone derivatives G Mariappan, B P Saha, Sriparna Datta, Deepak Kumar and P K Haldar 335–341

A self-supported 40W direct methanol fuel cell system A Manokaran, R Vijayakumar, T N Thomman, P Sridhar, S Pitchumani and A K Shukla 343–347

Selective determination of 3,4-dihydroxyphenylacetic acid in the presence of ascorbic and uric acids using polymer film modified electrode Palraj Kalimuthu and S Abraham John 349–355

Textural and morphological studies on zinc–iron alloy electrodeposits M Kanagasabapathy and Sobha Jayakrishnan 357–364

Errata 365 iv Volume Contents

Synthesis and photoelectrochemical characterization of a high molar extinction coefficient heteroleptic ruthenium(II) complex L Giribabu, Varun Kumar Singh, M Srinivasu, Ch Vijay Kumar, V Gopal Reddy, Y Soujnya and P Yella Reddy 371–378

Pyrene appended bile acid conjugates: Synthesis and a structure–gelation property study Shreedhar Bhat, Arto Valkonen, Juha Koivukorpi, Anupama Ambika, Erkki Kolehmainen, and Kari Rissanen 379–391

An efficient synthesis, X-ray and spectral characterization of biphenyl derivatives Ravindra R Kamble, Dharesh B Biradar, Gangadhar Y Meti, Tasneem Taj, Tegginamath Gireesh, Imthiyaz Ahmed M Khazi, Sundar T Vaidyanathan, Raju Mohandoss, Balasubramanian Sridhar and Viraraghav Parthasarathi 393–401

The role of weak intermolecular C–H...F interactions in supramolecular assembly: Structural investigations on 3,5-dibenzylidene-piperidin-4-one and database analysis R S Rathore, N S Karthikeyan, Y Alekhya, K Sathiyanarayanan and P G Aravindan 403–409

Nitroketene dithioacetal chemistry: Synthesis of coumarins incorporating nitrothiophene moiety H Surya Prakash Rao and K Vasantham 411–420

Amberlyst A-15: Reusable catalyst for the synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted- 1H-imidazoles under MW irradiation Shivaji S Pandit, Swapnil K Bhalerao, Uddhav S Aher, Gorakshanath L Adhav and Vikram U Pandit 421–426

Zeolite H-BEA catalysed multicomponent reaction: One-pot synthesis of amidoalkyl naphthols – Biologically active drug-like molecules Sunil R Mistry, Rikesh S Joshi and Kalpana C Maheria 427–432

Oxidation of gem-chloronitroso- and vic-chloronitroso-alkanes and -cycloalkanes to respective chloronitro compounds by novel cetyltrimethylammonium hypochlorite reagent Abdulkarim H A Mohammed and Gopalpur Nagendrappa 433–441

Synthesis of 4-aryl-4,5-dihydro-1H-indeno[1,2-d]pyrimidines by Biginelli condensation and their antibacterial activities Ramandeep Kaur, Monika Bansal, Balbir Kaur, Tulika Mishra and Aruna Bhatia 443–451

Metal-free oxidative coupling of thiols to disulfides using guanidinium nitrate or nitro urea in the presence of silica sulfuric acid Arash Ghorbani-Choghamarani, Mohsen Nikoorazm, Hamid Goudarziafshar, Alireza Shokr and Hosein Almasi 453–457

Resolution of 2,3-dihydro-benzofuran-3-ols Cédric Charrier and Philippe Bertrand 459–466

Palladium catalysed asymmetric alkylation of benzophenone Schiff base glycine esters in ionic liquids Dae Hyun Kim, Jin Kyu Im, Dae Won Kim, Minserk Cheong, Hoon Sik Kim and Deb Kumar Mukherjee 467–476

Polyethylene glycol in water: A simple, efficient and green protocol for the synthesis of quinoxalines Hemant V Chavan, Laxman K Adsul and Babasaheb P Bandgar 477–483

Recyclable nickel catalysed Suzuki–Miyaura reaction in the presence of polyethyleneimine under phosphine-free conditions in ethylene glycol Nooredin Goudarzian, Mohammad Gholinejad and Parisa Ghahramani 485–489 Volume Contents v

Synthesis of steroidal dimers: Selective amine catalysed steroidal dimerization Shamsuzzaman, Mohd Gulfam Alam and Tabassum Siddiqui 491–495

Proximity effect on the general base catalysed hydrolysis of amide linkage: The role of cationic surfactant, CTABr Sarat C Dash and Anadi C Dash 497–507

2+ 2+ 2+ CO adsorption on ionic Pt, Pd and Cu sites in Ce1−xMxO2−δ(M ¼ Pt ,Pd ,Cu ) Gargi Dutta, Asha Gupta, Umesh V Waghmare and M S Hegde 509–516

Photocatalytic properties of KBiO3 and LiBiO3 with tunnel structures Rajalakshmi Ramachandran, M Sathiya, K Ramesha, A S Prakash, Giridhar Madras and A K Shukla 517–524

Perspective Article

Photoprocesses of coordination compounds and dyes in solution and nanoporous materials: Evolution from milliseconds to femtoseconds P Natarajan, K Duraimurugan and K Senthil Kumar 531–553

Full Papers

Ruthenium(II)- bipyridyl with extended π-system: Improved thermo-stable sensitizer for efficient and long-term durable dye sensitized solar cells M Chandrasekharam, G Rajkumar, CH Srinivasa Rao, T Suresh, P Y Reddy and Y Soujanya 555–565

Ruthenium(II) carbonyl complexes containing chalconates and triphenylphosphine/arsine P Viswanathamurthi and M Muthukumar 567–576

4+ Ru ion in CeO2 (Ce0.95Ru0.05O2–δ): A non-deactivating, non-platinum catalyst for water gas shift reaction Preetam Singh, N Mahadevaiah, Sanjit K Parida and M S Hegde 577–592

Interesting reactivity of diketones with pyrrole under acidic condition Sanjeev Pran Mahanta and Pradeepta Kumar Panda 593–599

Quinolizidines alkaloids: Petrosin and xestospongins from the sponge Oceanapia sp. Keisham Sarjit Singh, Babulal Das and Chandrakant G Naik 601–607

Simple and efficient Knoevenagel synthesis of (E)-2-((1H-indol-3-yl) methylene)-3-oxoindolylnitrile catalysed by PPh3 M Venkatanarayana and P K Dubey 609–614

ZnO nanoparticle as catalyst for efficient green one-pot synthesis of coumarins through Knoevenagel condensation B Vinay Kumar, Halehatty S Bhojya Naik, D Girija and B Vijaya Kumar 615–621

Investigation of Prins reaction for the synthesis of 2, 4- disubstituted tetrahydropyran derivatives and 1, 3-dioxanes using polyaniline supported acid as reusable catalyst Kalyan Jyoti Borah and Ruli Borah 623–630

Synthesis of new series of N-3-[-{2-(substituted phenyl-4-oxo-5-(substituted benzylidene)-1,3-thiazolidine}- carbamyl]-propyl-2-aminothiazole and their biological importance Pushkal Samadhiya, Ritu Sharma, Santosh K Srivastava and Savitri D Srivastava 631–644 vi Volume Contents

Synthesis of New dihydropyrimidinones catalysed by dicationic ionic liquid Dhanaji V Jawale, Umesh R Pratap, Aparna A Mulay, Jyotirling R Mali and Ramrao A Mane 645–655

An expeditious green synthesis of Schiff bases and azetidinones derivatised with 1,2,4-triazoles Tasneem Taj, Ravindra R Kamble, Tegginamath Gireesh and Bharathi V Badami 657–666

Facile solvent-free one-pot synthesis of pyranobenzopyrans and their derivatives P Sirisha, Suhas Pednekar, Anant R Kapdi and Minal Naik 667–672

An efficient ultrasound promoted catalyst-free protocol for the synthesis of chromeno[4,3-b]quinolin- 6-ones J Venkata Prasad, J Satyanarayana Reddy, N Ravi Kumar, K Anand Solomon and G Gopikrishna 673–679

A new method for the chemoselective reduction of aldehydes and ketones using boron tri-isopropoxide, i B(O Pr)3: Comparison with boron tri-ethoxide, B(OEt)3 Burcu Uysal and Birsen S Oksal 681–685

Solvothermal synthesis and theoretical study of a polypyridium trimesylate adduct Yulan Zhu, Feng Ma, Kuirong Ma, Li Cao and Lianhua Zhao 687–696

Microwave-assisted efficient synthesis of 2-arylbenzo[b]furans and 2-ferrocenylbenzo[b]furans from readily prepared propargylic alcohols and o-iodophenols Liansheng Wu, Xiaokang Shi, Xiaoyun Xu, Fen Liang and Guosheng Huang 697–702

Rapid and highly efficient trimethylsilylation of alcohols and phenols with hexamethyldisilazane ® (HMDS) catalysed by in situ generated I2 using Oxone /KI or cerium ammonium nitrate (CAN)/KI systems under mild conditions Eskandar Kolvari, Ardeshir Khazaei, Mohammad Ali Zolfigol, Nadiya Koukabi, Maryam Gilandoust andNedaBakhit 703–708

Diversity in electrochemical oxidation of dihydroxybenzenes in the presence of 1-methylindole Davood Nematollahi and Vahid Hedayatfar 709–717

Relationship between global indices of reactivity, electrodonating and electroaccepting powers, and the hammet constant in isatoic anhydride derivatives J S Durand-Niconoff, L Cruz-Kuri, M H Matus, J Correa-Basurto, J S Cruz-Sánchez and F R Ramos-Morales 719–725

DFT study on structure, electronic properties, and reactivity of cis-isomers of [(NC5H4S)2Fe(CO)2] Charles A Mebi 727–731

Computational study on decomposition kinetics of CH3CFClO radical Hari Ji Singh and Bhupesh Kumar Mishra 733–741

A density functional study on the adsorption of hydrogen molecule onto small copper clusters Xiang-Jun Kuang, Xin-Qiang Wang and Gao-Bin Liu 743–754

·− ·− Theoretical study of the reactivity trends in the Cl-abstraction reactions of CHCl3 + CHX /CX2 (X = Cl, Br and I) Jun Xi Liang, Zhi Yuan Geng and Yong Cheng Wang 755–763

Special issue to commemorate the International Year of Chemistry 2011

Foreword 771

Metal selective co-ordinative self-assembly of p-donors Ankit Jain, K Venkata Rao, Ankita Goswami and Subi J George 773–781 Volume Contents vii

Gold(I)-selenolate complexes: Synthesis, characterization and ligand exchange reactions Krishna P Bhabak and 783–789

Ruthenium complexes of chelating amido-functionalized N-heterocyclic carbene ligands: Synthesis, structure and DFT studies Sachin Kumar, Anantha Narayanan, Mitta Nageswar Rao, Mobin M Shaikh and Prasenjit Ghosh 791–798

ARhIII–N-heterocyclic carbene complex from metal–metal singly bonded [RhII–RhII] precursor Arup Sinha, Abir Sarbajna, Shrabani Dinda and Jitendra K Bera 799–805

Two new 1D chains of Ni2Na2heterometallic double half-cubane building units: Synthesis, structures and variable temperature magnetic study Kartik Chandra Mondal, Bappaditya Gole, You Song, Stuart R Batten, David R Turner and 807–818

Synthesis and characterization of some heteroleptic copper(II) complexes based on meso-substituted dipyrrins Rakesh Kumar Gupta, Mahendra Yadav, Rampal Pandey and Daya Shankar Pandey 819–826

Axial phenoxide coordination on di-iron(III)bisporphyrin: Insights from experimental and DFT studies Susovan Bhowmik, Debangsu Sil, Ranjan Patra and Sankar Prasad Rath 827–837

Iron and cobalt complexes of 4,4,9,9-tetramethyl-5,8-diazadodecane-2, 11-dione dioxime ligand: Synthesis, characterization and reactivity studies Oindrila Das, Sayanti Chatterjee and Tapan Kanti Paine 839–846

∗ ∗ 5 Synthesis and reactivity of dimolybdathiaborane cluster [(Cp Mo)2B4SH6] (Cp = η -C5Me5) Kiran Kumar Varma Chakrahari and Sundargopal Ghosh 847–851

Identification and characterization of intermediates in the formation of the cyclobutadiene linked 5 4 dimeric cobalt sandwich compound [(η -RCp)Co(η -C4Ph3)]2 [R = H, CH3C(O)O] Nem Singh and Anil J Elias 853–860

Mono-, di- and tetranuclear rhodium(I) complexes of morpholine and N-methylpiperazine functionalized t cyclodiphosph(III)azanes, cis-[( BuN μ)2(PNC4H8X)2] (X = O, NMe) Maravanji S Balakrishna, D Suresh and Joel T Mague 861–868

Optical detection of sodium salts of fluoride, acetate and phosphate by a diacylhydrazine ligand by the formation of a colour alkali metal complex Purnandhu Bose, Ranjan Dutta, I Ravikumar and Pradyut Ghosh 869–874

Synthesis of azamacrocycle stabilized palladium nanoparticles: Controlled size and one-dimensional growth Jeyaraman Athilakshmi and Dillip Kumar Chand 875–881

A two-fold interpenetrated flexible bi-pillared-layer framework of Fe(II) with interesting solvent adsorption property Ritesh Haldar and Tapas Kumar Maji 883–890 p−Stacking interactions between G-quartets and circulenes: A computational study A K Jissy, J H V Ramana and Ayan Datta 891–900

Silica nanodisks as platforms for fluorescence lifetime-based sensing of pH Subhasree Banerjee, Anjali Dhir, Tuseeta Banerjee, Avinash Kumar Singh and Anindya Datta 901–907

Estimation of interfacial acidity of sodium dodecyl sulfate micelles Arghya Dey and G Naresh Patwari 909–918 viii Volume Contents

Utilizing dendritic scaffold for feasible formation of naphthalene excimer P K Lekha, Tufan Ghosh and Edamana Prasad 919–926

Nucleobase assemblies supported by uranyl cation coordination and other non-covalent interactions Jitendra Kumar and 927–935

Di(1H-benzo[d][1,2,3]triazol-1-yl)methane: An efficient ligand for copper and amine-free palladium-catalysed Sonogashira coupling reaction Jaspal Singh and Akhilesh Kumar Verma 937–942

Stereoselective synthesis of 2,3-disubstituted dihydrobenzofuran using alkyne Prins type cyclization to vinylogous carbonates Santosh J Gharpure and V Prasath 943–949

SN2-type ring opening of substituted-N-tosylaziridines with zinc (II) halides: Control of racemization by quaternary ammonium salt Manas K Ghorai, Deo Prakash Tiwari, Amit Kumar and Kalpataru Das 951–961

Comparative self-assembly studies and self-sorting of two structurally isomeric naphthalene-diimide (NDI)-gelators Anindita Das, Mijanur Rahaman Molla and Suhrit Ghosh 963–973

Subject Index 975–990

Author Index 991–998