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

Volume 124, 2012

CONTENTS

Special issue on Structure, Reactivity and Dynamics

Foreword 11–12

Dynamics of atom tunnelling in a symmetric double well coupled to an asymmetric double well: The case of malonaldehyde S Ghosh and S P Bhattacharyya 13–19

Shape change as entropic phase transition: A study using Jarzynski relation Moupriya Das, Debasish Mondal and 21–28

Fitness landscapes in natural rocks system evolution: A conceptual DFT treatment Soma Duley, Jean-Louis Vigneresse and Pratim Kumar Chattaraj 29–34

Hydrogen bonded networks in formamide [HCONH2]n (n ¼ 1 − 10) clusters: A computational exploration of preferred aggregation patterns A Subha Mahadevi, Y Indra Neela and G Narahari Sastry 35–42

Use of an intense microwave laser to dissociate a diatomic molecule: Theoretical prediction of dissociation dynamics Amita Wadehra and B M Deb 43–50

+ A quantum-classical simulation of a multi-surface multi-mode nuclear dynamics on C6H6 incorporating degeneracy among electronic states Subhankar Sardar and Satrajit Adhikari 51–58

Understanding proton affinity of tyrosine sidechain in hydrophobic confinement T G Abi, T Karmakar and S Taraphder 59–63

Full dimensional quantum scattering study of the H2 þ CN reaction S Bhattacharya, A Kirwai, Aditya N Panda and H-D Meyer 65–73

Dynamics of atomic clusters in intense optical fields of ultrashort duration Deepak Mathur and Firoz A Rajgara 75–81

Bhageerath—Targeting the near impossible: Pushing the frontiers of atomic models for protein tertiary structure prediction B Jayaram, Priyanka Dhingra, Bharat Lakhani and Shashank Shekhar 83–91

Quenching vibrations by collisions in cold traps: A quantum study for MgH+(X1Σ+) with 4He(1S) D Caruso, M Tacconi, F A Gianturco and E Yurtsever 93–97

Design of optimal laser pulses to control molecular rovibrational excitation in a heteronuclear diatomic molecule Sitansh Sharma, Gabriel G Balint-Kurti and Harjinder Singh 99–104

i ii Volume Contents

Partition function of the two-dimensional nearest neighbour Ising models for finite lattices in a non-zero magnetic field M Vinothkumar, G Nandhini and M V Sangaranarayanan 105–113

Dynamics study of a three-fold pseudo-Jahn–Teller system using the extended Longuet–Higgins formalism Biplab Sarkar and A J C Varandas 115–120

Optimal control of the initiation of a pericyclic reaction in the electronic ground state Timm Bredtmann and Jörn Manz 121–129

Structure and intermolecular vibrations of 7-azaindole-water 2:1 complex in a supersonic jet expansion: Laser-induced fluorescence spectroscopy and quantum calculation Montu K Hazra, Moitrayee Mukherjee, V Ramanathan and Tapas Chakraborty 131–139

Vibrational excitation resulting from electron capture in LUMO of F2 and HCl – A treatment using the time-dependent wave packet approach Bhavesh K Shandilya, Manabendra Sarma, Satrajit Adhikari and Manoj K Mishra 141–148

Tailoring approach for obtaining molecular orbitals of large systems Anuja P Rahalkar and Shridhar R Gadre 149–158

Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study Srinivasa R Varanasi and S Yashonath 159–166

Evidence for the powerful catalytic ability of imidozirconocene complex from its epoxide ring cleavage reactions – A DFT mechanistic view Dhurairajan Senthilnathan, Rajadurai Vijay Solomon and Ponnambalam Venuvanalingam 167–176

Basic principles of ultrafast Raman loss spectroscopy N K Rai, A Y Lakshmanna, V V Namboodiri and S Umapathy 177–186

Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians Danilo Calderini, Simonetta Cavalli, Cecilia Coletti, Gaia Grossi and Vincenzo Aquilanti 187–192

The role of C–H...π interaction in the stabilization of benzene and adamantane clusters R Mahesh Kumar, M Elango, R Parthasarathi, Dolly Vijay and V Subramanian 193–202

Density functional studies of endosulphan and its interaction with glycine and GABA C N Ramachandran, Brijesh Kumar Mishra and Ashwani Kumar Tiwari 203–207

Variation of kinetic isotope effect in multiple proton transfer reactions B Saritha and M Durga Prasad 209–214

Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study Bhabani S Mallik and 215–221

Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals Lalitha Ravichandran, Debarati Bhattacharya, Nayana Vaval and 223–232

Excitation energy transfer from dye molecules to doped graphene R S Swathi and K L Sebastian 233–240

Scaling properties of net information measures for bound states of spherical model potentials confined with finite barrier S H Patil and K D Sen 241–245 Volume Contents iii

Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl-N,N-dimethylamine Susana Gomez-Carrasco and Horst Köppel 247–253

Computational investigation of hydrogen adsorption in silicon–lithium binary clusters Naresh K Jena, K Srinivasu and Swapan K Ghosh 255–260

Structure and transport properties of LiF–BeF2 mixtures: Comparison of rigid and polarizable ion potentials B Shadrack Jabes, Manish Agarwal and 261–269

Dynamics of the dissociative electron attachment in H2O and D2O: The A1 resonance and axial recoil approximation N Bhargava Ram, Vaibhav S Prabhudesai and E Krishnakumar 271–279

Exploring control parameters of two-photon processes in solutions Debabrata Goswami and Amit Nag 281–289

On the nature of highly vibrationally excited states of thiophosgene Srihari Keshavamurthy 291–300

Adsorption of croconate dyes on TiO2 anatase (101) surface: A periodic DFT study to understand the binding of diketo groups Avinash L Puyad, C H Ramesh Kumar and K Bhanuprakash 301–310

Quantum dynamics of the ClþH2 reaction at ultracold temperatures N Balakrishnan 311–316

Hydration dynamics of protein molecules in aqueous solution: Unity among diversity Biman Jana, Subrata Pal and 317–325

Potentials of mean force for the exo and endo solvolysis of 2-norbornyl chloride in water and DMSO: A constrained molecular dynamics study Subodh C Tiwari, Timir Hajari, Ashish Sharma and B L Tembe 327–332

Perspective Article

The relevance of metal organic frameworks (MOFs) in inorganic materials chemistry Srinivasan Natarajan, Partha Mahata and Debajit Sarma 339–353

Full Papers

Excited state intramolecular charge transfer reaction in non-aqueous reverse micelles: Effects of solvent confinement and electrolyte concentration Tuhin Pradhan, Harun Al Rasid Gazi, Biswajit Guchhait and Ranjit biswas 355–373

Formation of fractals by the self-assembly of interpolymer adducts of polymethacrylic acid with complementary polymers in aqueous solution Kandhasamy Durai Murugan, Arlin Jose Amali and 375–383

Transition metal oxide loaded MCM catalysts for photocatalytic degradation of dyes Divya Jyothi, Parag A Deshpande, B R Venugopal, Srinivasan Chandrasekaran and 385–393

Evaluation of microlithographic performance of FDeep UV_ resists: Synthesis, and 2D NMR studies on alternating Fhigh ortho_ novolak resins Maneesh Sharma, Anant A Naik, P Raghunathan and S V Eswaran 395–401 iv Volume Contents

Structural, thermal behaviour and vibrational study of a new mixed cesium–ammonium tellurate Wafa Ben Aribia, Makki Abdelmouleh, Van Der Lee and Ahlem Kabadou 403–410

η5 and η6 - cyclic π-perimeter hydrocarbon group metal complexes of 3-(2-pyridyl)pyrazole derived ligands with a pendant nitrile group: Syntheses, spectral and structural studies Gloria Sairem, Venkateswara Rao Anna, Peng Wang, Babulal Das and Mohan Rao Kollipara 411–419

Mechanistic aspects of Os(VIII) catalyzed oxidation of loop diuretic drug furosemide by Ag(III) periodate complex in aqueous alkaline medium Shweta J Malode, Nagaraj P Shetti and Sharanappa T Nandibewoor 421–430

Synthesis of novel precursors of Pfitzinger reaction: A facile one-pot strategy to the synthesis of quinoline carboxylic acid derivatives of pyrazolo-carbazoles and azacarbazoles Ruchi Tyagi, Bhawani Singh and D Kishore 431–435

Ammonium derivatives of chromenones and quinolinones as lead antimicrobial agents Shilpi Gupta, Seema Singh, Abha Kathuria, Manish Kumar, Sweta Sharma, Ram Kumar, Virinder S Parmar, Bharat Singh, Anjali Gupta, Erik Van Der Eycken, Gainda L Sharma and Sunil K Sharma 437–449

Regioselective synthesis and evaluation of 3-alkylidene-1,3-dihydroisobenzofurans as potential antidepressant agents C Praveen, C Iyyappan, K Girija, K Suresh Kumar and P T Perumal 451–462

Synthesis and characterization of 5-heteroarylsulfanyl-4-aryl-1,2,3-selena/thiadiazoles Ramaiyan Manikannan, Masilamani Shanmugaraja, Seetharaman Manojveer and Shanmugam Muthusubramanian 463–468

Synthesis, antioxidant and antimicrobial evaluation of thiazolidinone, azetidinone encompassing indolylthienopyrimidines Anand Raghunath Saundane, Manjunatha Yarlakatti, Prabhaker Walmik and Vijaykumar Katkar 469–481

Bis(imino)pyridine (BIMP) Fe(II) catalyses one-pot green condensation of resorcinol, malononitrile, aromatic aldehydes and cyclohexanone Saman Damavandi and Reza Sandaroos 483–486

Synthesis of pyrano[2,3-c]carbazoles, pyrano[3,2-b]carbazoles and furo[3,2-b]carbazole derivatives via iodocyclization Krishna Chaitanya Talluri and Rajagopal Nagarajan 487–494

Trifluoromethanesulfonic acid promoted Dakin–West reaction: An efficient and convenient synthesis of b-acetamido ketones Ravindra M Kumbhare and Madabhushi Sridhar 495–500

Solid-supported sulfonic acid-containing catalysts efficiently promoted one-pot multi-component synthesis of b-acetamido carbonyl compounds Mohammad Ali Zolfigol, Ardeshir Khazaei, Abdolkarim Zare, Mohammad Mokhlesi, Tahereh Hekmat-Zadeh, Alireza Hasaninejad, Fatemeh Derakhshan-Panah, Ahmad Reza Moosavi-Zare, Hassan Keypour, Ahmad Ali Dehghani-Firouzabadi and Maria Merajoddin 501–508

FeCl3-catalysed Zn-mediated allylation of cyclic enol ethers in water P Chakraborty and S C Roy 509–512

Triphosgene mediated chlorination of Baylis–Hillman adducts Narender Reddy Thatikonda, Naga Sesha Sai Pavan Kumar Chebolu, Mahendar Budde and Jayathirtha Rao Vaidya 513–519 Volume Contents v

Controlled free radical polymerization of vinyl acetate with cobalt acetoacetonate Mohammad Ali Semsarzadeh and Sahar Amiri 521–527

Endurance of Nafion-composite membranes in PEFCs operating at elevated temperature under low relative-humidity A K Sahu, A Jalajakshi, S Pitchumani, P Sridhar and A K Shukla 529–536

Voltammetric determination of dopamine and norepinphrine on a glassy carbon electrode modified with poly (L-aspartic acid) Zhangyu Yu, Xiaochun Li, Xueliang Wang, Xinying Ma, Xia Li and Kewei Cao 537–544

Covalent crosslinking of carbon nanostructures Urmimala Maitra, M Pandeeswar and T Govindaraju 551–556

Synthesis and characterization of nano silicon and titanium nitride powders using atmospheric microwave plasma technique S Mahendra Kumar, K Murugan, S B Chandrasekhar, Neha Hebalkar, M Krishna, B S Satyanarayana and Giridhar Madras 557–563

Study of half-sandwich mono and dinuclear complexes of metals containing pyrazolyl pyridine analogues: Synthesis and spectral characterization Venkateswara Rao Anna, Kota Thirumala Prasad, Peng Wang and Kollipara Mohan Rao 565–575

Synthesis of cadmium complexes of 40-chloro-terpyridine: From discrete dimer to 1D chain polymer, crystal structure and antibacterial activity Lotfali Saghatforoush, Laura Valencia Matarranz, Firoozeh Chalabian, Shahriare Ghammamy and Fatemeh Katouzian 577–585

2+ Mechanistic aspects of ligand substitution on [(H2O)(tap)2RuORu(tap)2(H2O)] {tap=2-(m-tolylazo) pyridine} ion by three glycine-containing dipeptides in aqueous medium at physiological pH Arup Mandal, Subala Mondal, Parnajyoti Karmakar, Biplab K Bera, Subhasis Mallick and Alak K Ghosh 587–596

Synthesis of dehydrobenzoannulenes with pyrene core Antony Joseph, Gandikota Venkataramana and Sethuraman Sankararaman 597–607

Microwave-assisted one-pot synthesis of benzothiazole and benzoxazole libraries as analgesic agents C Praveen, A Nandakumar, P Dheenkumar, D Muralidharan and P T Perumal 609–624

Synthesis of some new 2-oxo-1,4-disubstituted-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitriles and their biological evaluation as cytotoxic and antiviral agents Hassan M Faidallah, Khalid A Khan and Abdullah M Asiri 625–631

Synthesis and pharmaceutical importance of 2-azetidinone derivatives of phenothiazine Ritu Sharma, Pushkal Samadhiya, S D Srivastava and S K Srivastava 633–637

Nano copper ferrite: A reusable catalyst for the synthesis of b, g-unsaturated ketones Y L N Murthy, B S Diwakar, B Govindh, K Nagalakshmi, I V Kasi Viswanath and Rajendra Singh 639–645

Activated anilide in heterocyclic synthesis: Synthesis of new hydrazo, dihydropyridazine, tetrahydropyridine, dihydropyridine and pyrano–pyridine derivatives Ibrahim Saad Abdel Hafiz, Mahmoud Mohamed Mahfouz Ramiz and Mohamed Ahmed Elian 647–655

Synthesis, characterization of N-, S-, O-substituted naphtho-and benzoquinones and a structural study Cemil Ibis and Nahide Gulsah Deniz 657–667 vi Volume Contents

Synthesis of a novel class of some biquinoline pyridine hybrids via one-pot, three-component reaction and their antimicrobial activity Nimesh M Shah, Manish P Patel and Ranjan G Patel 669–677

Solvent-free one-pot 1,3-dipolar cycloaddition reactions of dihydropyran derived nitronee Bhaskar Chakraborty, Prawin Kumar Sharma, Neelam Rai and Chiran Devi Sharma 679–685

A practical one-pot synthesis of azides directly from alcohols Lalthazuala Rokhum and Ghanashyam Bez 687–691

Cytotoxicity and anti-HIV evaluations of some new synthesized quinazoline and thioxopyrimidine derivatives using 4-(thiophen-2-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione as synthon Yahia A Mohamed, Abd El-Galil E Amr, Salwa F Mohamed, Mohamed M Abdalla, Mohamed A Al-Omar and Samira H Shfik 693–702

Synthesis and antimicrobial studies of new N,N0-[5,50-{2,20-(bis-alkoxy)bis(2,1-phenylene)]bis(4- acetyl-4,5-dihydro-1,3,4-thiadiazole-5,2-diyl)]diacetamide Mohamad Yusuf, Indu Solanki and Payal Jain 703–715

A novel polymeric catalyst for the one-pot synthesis of 2,4,5-triaryl-1H-imidazoles Ali Mohammadi, Hossein Keshvari, Reza Sandaroos, Hamed Rouhi and Zeinalabedin Sepehr 717–722

Synthesis and antibacterial activity of sulfonamide derivatives at C-8 alkyl chain of anacardic acid mixture isolated from a natural product cashew nut shell liquid (CNSL) N Subhakara Reddy, A Srinivas Rao, M Adharvana Chari, V Ravi Kumar, V Jyothy and V Himabindu 723–730

Theoretical study of b-aminoacroleine; Density functional theory, atoms in molecules theory and natural bond orbitals studies Heidar Raissi, Mehdi Yoosefian, Effat Moshfeghi and Farzaneh Farzad 731–739

Substrate integrated Lead-Carbon hybrid ultracapacitor with flooded, absorbent glass mat and silica- gel electrolyte configurations A Banerjee, M K Ravikumar, A Jalajakshi, P Suresh Kumar, S A Gaffoor and A K Shukla 747–762

Does polar interaction influence medium viscosity? A computer simulation investigation using model liquids Snehasis Daschakraborty and Ranjit Biswas 763–771

Allyl functionalized phosphinite and phosphonite ligands: Synthesis, transition metal chemistry and orthopalladation reaction Singappagudem Govindaraju, Guddekoppa S Ananthnag, Susmita Naik, Shaikh M Mobin and Maravanji S Balakrishna 773–779

Synthesis and structural characterization of a calcium coordination polymer based on a μ3-bridging tetradentate binding mode of glycine Subramanian Natarajan, Bikshandarkoil R Srinivasan, J Kalyana Sundar, K Ravikumar, R V Krishnakumar and J Suresh 781–790

Displacement of aqua ligands from the hydroxopentaaquarhodium(III) ion by 1-hydroxybenzotriazole (HOBt): A kinetic and mechanistic approach Biplab K Bera, Arup Mandal, Biswarup Maity, Sumon Ray, Parnajyoti Karmakar, Subala Mondal, Subhasis Mallick and Alak K Ghosh 791–799

Kinetic studies on substitution of cis-diaqua-chloro-tris-(dimethyl sulphoxide)-(II) complex with some dipeptides in aqueous medium Arup Mandal, Parnajyoti Karmakar, Subhasis Mallick, Biplab K Bera, Subala Mondal, Sumon Ray and Alak K Ghosh 801–807 Volume Contents vii

Kinetics and mechanism of oxidation of L-leucine by alkaline diperiodatocuprate(III) —A free radical intervention, deamination and decarboxylation Keerti M Naik and Sharanappa T Nandibewoor 809–819

Selenium dioxide catalysed oxidation of acetic acid hydrazide by bromate in aqueous hydrochloric acid medium R S Yalgudre and G S Gokavi 821–826

Synthesis, characterization and investigation of catalytic activity of Cu1−xCoxFe2O4 nanocatalysts in t-butylation of p-cresol Reza Fareghi Alamdari, Zahra Hosseinabadi and Masoud Farhadi Khouzani 827–834

Solvent-free oxidation of aldehydes to acids by TBHP using environmental-friendly j1 MnO4 -exchanged Mg-Al hydrotalcite catalyst Vasant R Choudhary, Deepa K Dumbre and Vijay S Narkhede 835–839

Nonthermal plasma assisted photocatalytic oxidation of dilute benzene J Karuppiah, E Linga Reddy, L Sivachandiran, R Karvembu and Ch Subrahmanyam 841–845

Synthesis, characterization and biological evaluation of thiazolopyrimidine derivatives H Nagarajaiah, I M Khazi and Noor Shahina Begum 847–855

Potash alum [KAl(SO4)2.12H2O] catalysed esterification of formylphenoxyaliphatic acids Ganesan Shunmugadhas Suresh Kumar and Sudalaiandi Kumaresan 857–863

Versatile three-component procedure for combinatorial synthesis of spiro-oxindoles with fused chromenes catalysed by L-proline Majid M Heravi, Masoumeh Zakeri and Arezoo Moharami 865–869

Efficient asymmetric Baeyer–Villiger oxidation of prochiral cyclobutanones using new polymer-supported and unsupported chiral co(salen) complexes Reza Sandaroos, Mohammad Taghi Goldani, Saman Damavandi and Ali Mohammadi 871–876

An environmentally benign one pot synthesis of substituted quinolines catalysed by fluoroboric acid based ionic liquid A Rajendran, C Karthikeyan, K Rajathi and D Ragupathy 877–881

Pentafluorophenylammonium triflate-CuCl2: A mild, efficient and reusable heterogeneous catalyst system for facile synthesis of 4(3H)-quinazolinones under solvent-free conditions Naser Montazeri, Khalil Pourshamsian, Soghra Yosefiyan and Seydeh Samaneh Momeni 883–887

Cellulose sulphuric acid as a biodegradable catalyst for conversion of aryl amines into azides at room temperature under mild conditions Firouzeh Nemati and Ali Elhampour 889–892

A novel and facile approach for synthesis of 5-amino-7-aryl-6-cyano-4H-pyrano[3,2-b]pyrroles Reza Sandaroos and Saman Damavandi 893–899

SelectfluorTM: A novel and efficient reagent for the rapid a-thiocyanation of ketones Dezhen Wu, Xiaojuan Yang and Liqiang Wu 901–905

Nickel nanoparticles: A highly efficient catalyst for one pot synthesis of tetraketones and biscoumarins Jitender M Khurana and Kanika Vij 907–912

Synthesis of cyclic nitrone and 1,2-oxazine from 1,2,4-triaryl-but-2-ene-1,4-dione and hydroxylamine Muthupandi Nagaraj, Murugan Iniya, Muthusamy Boominathan, Shanmugam Muthusubramanian and Nattamai Bhuvanesh 913–919 viii Volume Contents

A facile approach for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones using a microwave promoted Biginelli protocol in ionic liquid Abhishek N Dadhania, Vaibhav K Patel and Dipak K Raval 921–926

Boric acid as a mild and efficient catalyst for one-pot systhesis of 1-amidoalkyl-2-naphthols under solvent-free conditions Aziz Shahrisa, Somayeh Esmati and Mahdi Gholamhosseini Nazari 927–931

Silica (NPs) supported Fe (III) as a reusable heterogeneous catalyst for the one-pot synthesis of 1, 4-dihydropyridines under mild conditions Javad Safaei-Ghomi, Abolfazl Ziarati and Safura Zahedi 933–939

A facile synthesis of 1,2,3-triazolyl indole hybrids via SbCl3-catalysed Michael addition of indoles to 1,2,3-triazolyl chalcones Poovan Shanmugavelan, Murugan Sathishkumar, Sangaraiah Nagarajan and Alagusundaram Ponnuswamy 941–950

Synthesis, structure, thermal and NLO characterization of 4-hydroxy tetramethylpiperazinium picrate crystals T Dhanabal, G Amirthaganesan, M Dhandapani and Samar K Das 951–961

Electrochemical sensing and photocatalysis using Ag–TiO2 microwires Soumit S Mandal and Aninda J Bhattacharyya 969–978

Supported lipid bilayers as templates to design manganese oxide nanoparticles J Maheshkumar, B Sreedhar, B U Nair and A Dhathathreyan 979–984

Comparative study of spectroscopic properties of the low-lying electronic states of 2,4-pentadien-1- iminium cation and its N-substituted analogues Anjan Chattopadhyay 985–994

Theoretical studies on a series of 1,2,4-triazoles derivatives as potential high energy density compounds Zhang Rui-Zhou, Li Xiao-Hong and Zhang Xian-Zhou 995–1006

A facile and expedient one-pot three-component reaction leading to multifunctionalized stabilized phosphorus ylides Zahra Hassani and Zeinab Esfandiarpour 1007–1012

Highly efficient solvent-free synthesis of pyranopyrazoles by a Bronsted-acidic ionic liquid as a green and reusable catalyst Javad Ebrahimi, Ali Mohammadi, Vahid Pakjoo, Ehsan Bahramzade and Amir Habibi 1013–1017

Synthesis of novel 2-(4-(2-morpholinoethoxy)phenyl)-N-phenylacetamide analogues and their antimicrobial study H P Jayadevappa, G Nagendrappa, S Umesh and S Chandrashekar 1019–1023

Preparation of different amides via Ritter reaction from alcohols and nitriles in the presence of silica-bonded N- propyl sulphamic acid (SBNPSA) under solvent-free conditions Maryam-Sadat Shakeri, Hassan Tajik and Khodabakhsh Niknam 1025–1032

Substituted quinolinones Part 17: Some nucleophilic reactions with 4-hydroxy-1-methyl-3-[(2-oxo- 2H-chromen-3-yl)carbonyl]quinolin-2(1H)-one Mohamed Abass, El-Hussain A Mohamed, Aisha S Mayas and Akram H Ibrahim 1033–1041

Synthesis and antimicrobial activities of new oxime carbonates of 3-aryl-2-thioquinazolin-4(3H)-one Suresh S Patil, Swati D Jadhav and M B Deshmukh 1043–1048 Volume Contents ix

Synthesis, docking and anticancer activity studies of D-proline-incorporated wainunuamide M Himaja, A Ranjitha and Sunil V Mali 1049–1055

Tandem base-free synthesis of b-hydroxy sulphides under ultrasound irradiation Guang-Shu LV, Fu-Jun Duan, Jin-Chang Ding, Tian-Xing Cheng, Wen-Xia Gao, Jiu-Xi Chen and Hua-Yue Wu 1057–1062

Heterocyclyl linked anilines and benzaldehydes as precursors for biologically significant new chemical entities Raman K Verma, Vijay Kumar, Prithwish Ghosh and Lalit K Wadhwa 1063–1069

Cannizzaro reaction of 2-chloro-3-formylquinolines and its synthetic utility for 2-acetylfuro[2,3-b]quinolines; The alkaloid analogues Devadoss Karthik Kumar, Rajakandhan Shankar and Subramaniam Parameswaran Rajendran 1071–1076

An alternative approach to synthesis of 2-n-butyl-5-nitrobenzofuran derivative: A key starting material for dronedarone hydrochloride P Raja Gopal, E R R Chandrashekar, M Saravanan, B Vijaya Bhaskar and P Veera Somaiah 1077–1085

Selective synthesis of thiodiglycol dicarboxylic acid esters via p-TsOH/C-catalysed direct esterification Dahong Jiang and Min Huang 1087–1090

1-Methylimidazolium trifluoroacetate [Hmim]Tfa: Mild and efficient Brønsted acidic ionic liquid for Hantzsch reaction under microwave irradiation Jemin R Avalani, Devji S Patel and Dipak K Raval 1091–1096

A practical one pot synthesis of novel 2-hydroxy-4-chromanone derivatives from 3-formylchromone Zeba N Siddiqui and Farheen Farooq 1097–1105

Selective oxidation of benzyl alcohol with tert-butylhydroperoxide catalysed via Mn (II) 2, 2-bipyridine complexes immobilized over the mesoporous hexagonal molecular sieves (HMS) Vahid Mahdavi and Mahdieh Mardani 1107–1115

Characterization of novel Cs and K substituted phosphotungstic acid modified MCM-41 catalyst and its catalytic activity towards acetylation of aromatic alcohols Surjyakanta Rana, Sujata Mallick, Dharitri Rath and K M Parida 1117–1125

Functionalization of oxidized single-walled carbon nanotubes with 4-benzo-9-crown-3 ether Ardeshir Khazaei, Maryam Kiani Borazjani and Khadijeh Mansouri Moradian 1127–1135

Special issue on Modern Trends in (MTIC-XIV)

Foreword 1143

Mechanism of -O–O- bond activation and catalysis by RuIII-pac complexes (pac = polyaminocarboxylate) Debabrata Chatterjee 1145–1150

Helical chirality induction of expanded porphyrin analogues Jun-Ichiro Setsune 1151–1163

Organometallic complexes of the platinum metals: Synthesis, structure, and catalytic applications Piyali Paul and 1165–1173

Digestive ripening: a synthetic method par excellence for core–shell, alloy, and composite nanostructured materials Srilakshmi P Bhaskar and Balaji R Jagirdar 1175–1180 x Volume Contents

Electronic structures of ruthenium complexes encircling non-innocent ligand assembly Amit Das, Dipanwita Das, Tanaya Kundu and Goutam Kumar Lahiri 1181–1189

Simple tertiary phosphines to hexaphosphane ligands: Syntheses, transition metal chemistry and their catalytic applications Maravanji S Balakrishna, Sowmya Rao and Bimba Choubey 1191–1204

Reactions of a stable dialkylsilylene and their mechanisms Mitsuo Kira 1205–1215

Cu(II) complexes of glyco-imino-aromatic conjugates in DNA binding, plasmid cleavage and cell cytotoxicity Amit Kumar, Atanu Mitra, Amrendra Kumar Ajay, Manoj Kumar Bhat and Chebrolu P Rao 1217–1228

Cu(I)/Cu(II) templated functional pseudorotaxanes and rotaxanes Subrata Saha and 1229–1237

Linear, branched and network polysilanes with thienyl/furyl substituted sila-alkyl side chains and their applications for the synthesis of fluorescent silver nanoparticles/clusters Ravi Shankar, Usharani Sahoo, Vandana Shahi and Manchal Chaudhary 1239–1244

Chalcogenated Schiff bases: Complexation with (II) and Suzuki coupling reactions Pradhumn Singh, G K Rao, Mohd Salman Karim and Ajai K Singh 1245–1253

Click-generated triazole based ferrocene-carbohydrate bioconjugates: A highly selective multisignalling probe for Cu(II) ions Arunabha Thakur, Sinjinee Sardar and Sundargopal Ghosh 1255–1260

Metal derivatives of heterocyclic-2-thiones: Variable donor ability, C–S rupture and new structural motifs Tarlok S Lobana and Razia Sultana 1261–1268

Mechanistic studies of copper(II)-Mediated oxidation of vic-dioxime to furoxan Oindrila Das and Tapan Kanti Paine 1269–1273

Crystallization of organically templated phosphomolybdate cluster-based solids from aqueous solution Minakshi Asnani, Dinesh Kumar, T Duraisamy and Arunachalam Ramanan 1275–1286

Calixarenes: Versatile molecules as molecular sensors for ion recognition study Subrata Patra, Debdeep Maity, Ravi Gunupuru, Pragati Agnihotri and Parimal Paul 1287–1299

Synthesis, characterization and phosphotriesterase mimetic activity of some Zn(II) and Cu(II) complexes Mamata Singh, Ray J Butcher, Jerry P Jasinski, James A Golen and 1301–1313

Fabrication of optochemical and electrochemical sensors using thin films of porphyrin and phthalocyanine derivatives Palanisamy Kalimuthu, Arumugam Sivanesan and S Abraham John 1315–1325

Photocytotoxic lanthanide complexes Akhtar Hussain and Akhil R Chakravarty 1327–1342

Computational tools for mechanistic discrimination in the reductive and metathesis coupling reactions mediated by titanium (IV) isopropoxide Akshai Kumar and Ashoka G Samuelson 1343–1352 Volume Contents xi

μ-Phenoxo-μ-pseudohalide and μ-pseudohalide dinuclear, tetranuclear and one-dimensional complexes: magneto-structural correlation and interesting type of solid state isomerism Sujit Sasmal and Sasankasekhar Mohanta 1353–1364

Study of h6- cyclic p-perimeter hydrocarbon ruthenium complexes bearing functionalized pyridyl diketones: Isolation of complexes with k2-N∩O and k4-N∩O bonding modes of ligands Saphidabha L Nongbria, Babulal Das and Kollipara Mohan Rao 1365–1375

Rhomboidal [Cu4] coordination cluster from self-assembly of two asymmetric phenoxido-bridged Cu2 units: Role of μ1,1-Azido Clips Avijit Sarkar, Aloke Kumar Ghosh, Moumita Pait, Haridas Mandal, Tufan Singha Mahapatra, Biswajit Sharangi, Mrinal Sarkar and Debashis Ray 1377–1383

Single crystal growth of europium and ytterbium based intermetallic compounds using metal flux technique Sumanta Sarkar and Sebastian C Peter 1385–1390

Metal azides under pressure: An emerging class of high energy density materials G Vaitheeswaran and K Ramesh Babu 1391–1398

Mechanism of unusual polymorph transformations in calcium carbonate: Dissolution-recrystallization vs additive-mediated nucleation Arpita Sarkar and Samiran Mahapatra 1399–1404

Synthesis, characterization and cytotoxic activity of palladium (II) carbohydrate complexes S Bhavya Deepthi, Rajiv Trivedi, P Sujitha, C Ganesh Kumar, B Sridhar and Suresh K Bhargava 1405–1413

Subject Index 1415–1438

Author Index 1439–1450