Indian Journal of Chemistry

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

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CODEN: ICACEC; ISSN: 0376-4710 (Print), 0975-0975 (Online)

 

 

 

 

VOLUME 56A

NUMBER 1

JANUARY 2017

 

CONTENTS

 

 

9

 

DFT study for radical capture by mitochondria oxidotoxin protective ionic and non-ionic amphiphilic α-phenyl-N-t-butyl nitrone derivatives

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Sutapa Mandal & Nivedita Acharjee*

 

 

 

DFT analysis for radical capture by biologically active amphiphilic α-phenyl-N-t-butyl nitrone derivatives is reported. Analysis of global and local reactivity descriptors is presented from both natural and electrostatic based charges. Transition states for radical attacks have been located and the activation barriers for radical capture are calculated. The cis attack is energetically favored in each case. Hyperfine splitting constants have been computed and compared with the reported experimental findings.

 

 

 

21

 

Thermophysical, excess and transport properties of organic solvents with imidazolium based ionic liquids

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Akanksha Saini, Aditya Harshvardhan & Ranjan Dey*

 

 

 

Ultrasonic velocity and refractive index are evaluated for eight
binary mixtures comprising imidazolium based ionic
liquids ([BMIM][PF6], [HMIM][PF6], [OMIM][PF6] and [MMIM][CH3SO4]) with organic solvents of varying nature, viz.,
2-propanol, 2-butanone and ethylacetate, at 293.15, 298.15 and 303.15 K.

 

 

 

 

36

 

Nickel(II) complex based on bis-(1-(pyridin-2-yl-methyl)-benzimidazol-2-yl-methyl) ether and its utilization in the oxidation of 2-amino-4-tert-butylphenol

 

 

 

 

 

 

 

 

 

 

Raghvi Khattar, Anjana Yadav, Kuldeep Mahiya & Pavan Mathur*

 

 

 

Ni(II) complex of a bis-benzimidazole ligand crystallizes in the tetragonal system with space group I41/a and appears to be propeller-shaped when viewed along the c-axis.

 

 

 

 

43

 

Improved photocatalytic performance of (ZnO/TiO2)-β-CD on decolorization of brilliant green dye under UV light irradiation

 

 

 

 

 

 

 

 

 

 

 

 

 

 

P Velusamy* & G Lakshmi

 

 

 

The (ZnO/TiO2)-β-CD system has higher photocatalytic activity than (ZnO/TiO2), ZnO and TiO2 due to the synergistic effect of ZnO and TiO2 as well as the formation of strong inclusion complexes between β-CD and BG dye molecules.

 

 

 

Notes

 

50

 

Synthesis and characterization of gadolinium tungstate doped zinc oxide photocatalyst

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Kuppulingam Thirumalai, Manohar Shanthi & Meenakshisundaram Swaminathan*

 

 

 

Gd2WO6-ZnO with the morphological structure of nanorods and microsponge acts as an effective electron scavenger to trap the conduction band electrons of ZnO.

 

Sch 1

 

 

 

57

 

A comparative study of the photocatalytic
properties of CuS nanotubes and nanoparticles by hydrothermal method

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Xuyan You, Xiaohong Geng, Xiue Liu, Yang Yu & Zhihong Jing*

 

 

 

Copper sulfide nanotubes and nanoparticles have been successfully synthesized by a hydrothermal process at 160 °C for 10 h, employing copper chloride and thioacetamide as starting materials, and polyethylene glycol-400 as surfactant. Both, CuS nanotubes and nanoparticles, belong to the hexagonal phase CuS. The CuS nanotubes with smooth inside and coarse outside present higher photocatalytic performance than the CuS nanoparticles.

 

 

 

 

 

63

 

Nitrogen doped graphene supported Pt-Pd nanoparticle modified GC electrode for electrochemical determination of tramadol and paracetamol

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Janakiraman Manokaran, Jonna Narendranath,
Rethinasabapathy Muruganantham &
Natesan Balasubramanian
*

 

 

 

The NGp-PDDA supported Pt-Pd nanoparticle modified electrode detects paracetamol over a concentration range of 5×10-6
to 1×10-4 M, and tramadol from 1.2×10-5 to 2.4×10-4 M. The
limit of detection is found to be 1.8×10-7 and 5.7×10-6 M, respectively (S/N = 3).

 

 

 

69

Guide to Authors

 

 

 

Authors for correspondence are indicated by (*)


 

 

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Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 9-20

 

 

DFT study for radical capture by mitochondria oxidotoxin protective
ionic and non-ionic amphiphilic α-phenyl-N-t-butyl nitrone derivatives

Sutapa Mandal & Nivedita Acharjee*

Department of Chemistry, Durgapur Government College, Jawahar Lal Nehru Rd, Durgapur 713 214,
Dist. Burdwan, West Bengal, India

Email: nivchem@gmail.com; nivedita_acharjee@rediffmail.com

Received 6 April 2016; revised and accepted 26 December 2016

DFT analysis for radical capture by a series of biologically active amphiphilic α-phenyl-N-t-butyl nitrone derivatives has been reported in the present study. A detailed analysis of global and local reactivity descriptors has been presented from both natural and electrostatic based charges. Reactivities of the investigated nitrones for radical capture have been compared by interaction energy calculations derived from a perturbative orbital independent theoretical model. The transition states for radical attacks have been located and the activation barriers for radical capture are calculated. The cis attack is found to be energetically favored in each case. Finally, the hyperfine splitting constants have been computed and compared with the reported experimental findings.

Keywords: Theoretical chemistry, Density functional calculations, Interaction energy, Transition state,
Radical capture, Activation energy, Nitrones

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 21-35

 

 

Thermophysical, excess and transport properties of organic solvents with imidazolium based ionic liquids

Akanksha Saini, Aditya Harshvardhan & Ranjan Dey*

Department of Chemistry, Birla Institute of Technology and Science (BITS), Pilani, K K Birla Goa Campus,
Zuarinagar, 403726, Goa, India

Email: ranjandey@goa.bits-pilani.ac.in

Received 30 September 2016; accepted 28 December 2016

Ultrasonic velocity and refractive index have been evaluated for eight binary mixtures comprising imidazolium based ([BMIM][PF6], [HMIM][PF6], [OMIM][PF6] and [MMIM][CH3SO4]) ionic liquids with three organic solvents of varying nature, viz., 2-propanol, 2-butanone and ethylacetate, at three different temperatures (293.15, 298.15 and 303.15 K). Evaluation of refractive index has been carried out by eight approaches, whereas five methods have been employed for computation of ultrasonic velocity. Molecular interaction studies have been carried out with the help of intermolecular free length, and interaction parameter. Furthermore, the excess counterpart of the coefficient of thermal expansion has been determined to get a deeper understanding on the behavior in terms of nature and extent of interactions present in these systems.

Keywords: Solution chemistry, Ionic liquids, Imidazolium ionic liquids, Refractive index, Ultrasonic velocity,
Molecular interactions, Thermal expansion

 

 

 

 

 

 

 

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 36-42

 

 

Nickel(II) complex based on bis-(1-(pyridin-2-yl-methyl)-benzimidazol-2-yl-methyl) ether and its utilization in the oxidation of
2-amino-4-tert-butylphenol

Raghvi Khattar, Anjana Yadav, Kuldeep Mahiya & Pavan Mathur*,

Department of Chemistry, University of Delhi, Delhi-110 007, India

Email: pavanmat@yahoo.co.in

Received 20 June 2016; revised and accepted 20 December 2016

A mononuclear nickel(II) complex [Ni(L)2].(NO3)2.H2O is synthesized utilizing a bis-benzimidazolyl ligand
(L = bis-(1-(pyridin-2-yl-methyl)-benzimidazol-2-yl-methyl)ether) and characterized by single-crystal X-ray diffraction, elemental analysis, UV-vis and IR spectroscopy. Ni(II) complex crystallizes in the tetragonal system with space group I41/a and appears to be propeller-shaped when viewed along the c-axis. The [Ni(L)2].(NO3)2 complex has been utilized for the oxidation for 2-amino-4-tert-butylphenol to 4-tert-butyl-o-benzoquinone in the presence of hydrogen peroxide and the average rate of reaction is calculated to be 63×10–7 M min–1. The presence of externally added acetate ion tends to inhibit the rate of reaction.

Keywords: Coordination chemistry, Benzimidazoles, N-Picolyl-bis-benzimidazole, Nickel,
o-Iminobenzosemiquinone, 4-tert-Butyl-o-benzoquinone

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 43-49

 

 

Improved photocatalytic performance of (ZnO/TiO2)-β-CD on decolorization of brilliant green dye under UV light irradiation

P Velusamy* & G Lakshmi

Centre for Research and Post-graduate Studies in Chemistry,
Ayya Nadar Janaki Ammal College (Autonomous), Sivakasi 626 124, Tamil Nadu, India

Email: velusamyanjac96@rediffmail.com

Received 18 July 2016; revised and accepted 22 November 2016

The photocatalytic activity of modified semiconductor nanocomposite (ZnO/TiO2)-β-CD system, for decolorization of brilliant green dye has been studied under UV light (λmax= 365 nm) irradiation and results are compared with the activities of (ZnO/TiO2), bare ZnO and bare TiO2. The nanocomposite has been characterized by X-ray diffraction, scanning electron microscopy, UV-vis diffuse reflectance spectroscopy. UV–visible analysis has also been used to confirm the complexation pattern between β-CD and the dye. Various experimental parameters like ZnO:TiO2 ratio, initial concentration of dye, irradiation time and pH have been investigated. Kinetic results show that the decolorization reaction follows pseudo-first order kinetics. The mineralization of brilliant green has been confirmed by chemical oxygen demand measurements. A suitable reaction mechanism for decolorization of the dye by (ZnO/TiO2)-β-CD has also been proposed. The present results show that (ZnO/TiO2)-β-CD system is an efficient and low cost modified photocatalyst for the treatment of waste water from textile industries.

Keywords: Photocatalysts, Zirconia, Titania, Cyclodextrin, β-Cyclodextrin, Semiconductors, Nanocomposites,
Dye decolorization, Brilliant green, UV light

 

 

 

 

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 50-56

 

 

Synthesis and characterization of gadolinium tungstate doped
zinc oxide photocatalyst

Kuppulingam Thirumalaia, Manohar Shanthia & Meenakshisundaram Swaminathan*, a, b

aPhotocatalysis Laboratory, Department of Chemistry, Annamalai University,
Annamalai Nagar 608 002, Tamil Nadu, India

bDepartment of Chemistry, International Research Centre, Kalasalingam University,
Krishnan Kovil 626 126, India

Email: chemres50@gmail.com; m.swaminathan@klu.ac.in

Received 19 December 2016; accepted 30 December 2016

Fabrication of 5 wt% Gd2WO6 doped ZnO via template-free hydrothermal process and its photocatalytic activity against azo dyes, rhodamine-B (Rh–B) and trypan blue (TB) in UV-A light irradiation are reported. The as-prepared Gd2WO6 doped ZnO has been characterised by X-ray diffraction, field emission scanning electron microscopy, X-ray photoelectron spectroscopy, and, diffused reflectance and photoluminescence spectroscopy. The XRD pattern indicates the distinct diffraction peaks for wurtzite ZnO and body-centered monoclinic structure of Gd2WO6 with good crystallinity. EDS analysis reveals the homogeneous distribution of Gd, Zn, W and O in the prepared catalyst. The results suggests that rare earth tungstate, Gd2WO6 doping on ZnO has great influence on the photocatalytic activity under UV-A light. Gd2WO6-ZnO possesses high reusability without appreciable loss of catalytic activity up to four runs.

Keywords: Photocatalysis, Zinc oxide, Wurtzite structure, Semiconductor oxides, Gadolinium tungstate, Degradation, Dye degradation, Rhodamine B.

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 57-62

 

 

A comparative study of the photocatalytic properties of CuS nanotubes and nanoparticles by hydrothermal method

Xuyan You, Xiaohong Geng, Xiue Liu, Yang Yu & Zhihong Jing*

College of Chemistry and Chemical Engineering, Qufu Normal University,
West Jingxuan Road No.57, Qufu, Shandong 273165, PR China

Email: zhhjing@126.com

Received 16 November 2016; re-revised and accepted 20 December 2016

Copper sulfide nanotubes and nanoparticles have been successfully synthesized by a hydrothermal process at 160 °C for 10 h, employing copper chloride (CuCl2·2H2O) and thioacetamide as starting materials, polyethylene glycol 400 as surfactant. The products are characterized by X-ray power diffraction, scanning electron microscopy, UV–vis spectroscopy and fluorescence spectroscopy, respectively. The results show that both CuS nanotubes and nanoparticles belong to the hexagonal phase CuS and the morphologies of the products are greatly influenced by the surfactant, reactant molar concentration and reactant molar ratio. The photocatalytic properties of the CuS nanotubes and nanoparticles have been evaluated via photocatalytic degradation of organic dye and reduction of aqueous Cr (VI) under UV light irradiation. The CuS nanotubes with smooth inside and coarse outside present higher photocatalytic performance than the CuS nanoparticles.

Keywords: Photocatalytic degradation, Dye degradation, Hydrothermal synthesis, Surfactants, Nanotubes, Nanoparticles, Copper sulphide

 

 

 

 

 

Indian Journal of Chemistry

Vol. 56A, January 2017, pp. 63-68

 

 

Nitrogen doped graphene supported Pt-Pd nanoparticle modified
GC electrode for electrochemical determination
of tramadol and paracetamol

Janakiraman Manokaran, Jonna Narendranath, Rethinasabapathy Muruganantham
& Natesan Balasubramanian*

Department of Chemical Engineering, AC Tech Campus, Anna University,
Chennai 600 025, India

Email: nbsbala@annauniv.edu; nbsbala@gmail.com

Received 15 March 2016; revised and accepted 26 December 2016

The role of functionalized nitrogen doped graphene (NGp) using poly(diallyldimethylammonium chloride) (PDDA) as modified electrode has been discussed. Pt-Pd bimetallic nanoparticles have been anchored on PDDA-NGp to form PtPd-PDDA-NGp nanocomposites, which are characterized by high resolution transmission electron microscope, X-ray diffraction and Raman spectroscopy. The simultaneous determination of paracetamol and tramadol has been carried out using the nitrogen doped graphene supported Pt-Pd nanoparticle modified glassy carbon electrode in 0.1 M Britton-Robinson buffer solution (pH 5.0). Two well-defined voltammetric peaks are obtained in square wave voltammogram measurements. It has been observed that the modified electrode can detect a wide linear range of concentrations of paracetamol from 5×10-6 to 1×10-4 M, and tramadol from 1.2×10-5 to 2.4×10-4 M. The limit of detection was found to be 1.8×10-7 and 5.7×10-6 M for paracetamol and tramadol, respectively (S/N = 3).

Keywords: Electrochemistry, Electroanalysis, Graphene, Doped graphene, Electrodes,
Modified electrodes, Paracetamol, Tramadol