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 5

MAY 2017

 

CONTENTS

 

 

469

 

DFT studies on role of methoxy group in radical scavenging ability of quebrachitol and viscumitol

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

D Jeevitha, K Sadasivam* & R Praveena

 

 

 

Quebrachitol with lesser number of methoxy group (benzenehexol with one methoxy group) is a more efficient radical scavenger than viscumitol (benzenehexol with two methoxy groups).

 

 

 

 

 

 

479

 

Structural characterization and photocatalytic properties of hydrothermally synthesized Ni2+-TiO2 nanoparticles for dye degradation under direct sunlight

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Ravi Kamble, Sandip Sabale*, Prashant Chikode, Vijaya Puri & Smita Mahajan

 

 

 

Visible light active Ni2+-TiO2 photocatalyst with average particle size of 8-11 nm has been prepared by stainless steel autoclave hydrothermal method using titanium isopropoxide as precursor.  Photocatalytic activity of the Ni2+-TiO2 nanoparticles has been studied by degradation of  malachite green dye under UV light, visible light and direct sunlight. Ni2+-TiO2 (1.60 wt.%) shows more than 90% degradation in 180 min under sunlight.

 

 

Notes

 

488

 

Cu-ZSM-5 catalyzed low-temperature hydrogen peroxide-induced methane-to-methanol conversion

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Y Zhang, L F Allard, Z Li, M Kidder & C K Narula*

 

 

 

Ion-exchanged Cu-ZSM-5 is more effective than Fe-ZSM-5 in converting methane to methanol with hydrogen peroxide.

 

 

 

 

493

 

Poly(o-toluidine) salt as low cost electrode material for high performance electrochemical supercapacitor

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Hajera Gul, Salma Gul, Anwar-ul-Haq Ali Shah & Salma Bilal*

 

 

 

Binder-free, low cost poly(o-toluidine) (POT) has been synthesized by emulsion polymerization method and tested for supercapacitor application through cyclic voltammetry and galvanostatic charge discharge analysis. The POT salt exhibits the highest specific capacitance value of 301 F/g.

 

1390-2.tif

 

 

 

501

 

A chemiluminescence sensor based on molecularly imprinted polymer for determination of peimine

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Hongping Han, Hong Zheng*, Baolin Li*, Hui Xiang & Yilan Zhangluo

 

 

 

A peimine-imprinted polymer has been synthesized and developed as a simple, rapid and sensitive chemiluminescence sensor for the determination of peimine based on the chemiluminescence reaction of peimine with potassium permanganate in acidic medium. The chemiluminescence intensity responds linearly to the concentration of peimine within the range of 5.0×10−7 to 5.0×10−5 mol L−1 with a detection limit of 2.0×10−7 mol L−1. The relative standard deviation for 3.0×10−6 mol L−1 peimine solution is 3.6% (n = 11).

 

 

 

 

508

 

Host-guest interaction of cucurbit[7]uril with
para-nitrophenol: A weakly binding inclusion complex

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Sabyasachi Patra*, Sudip Gorai, D Rama Mohana Rao, Manoj K Sharma, Sandip K Nayak, Alok K Ray & A Goswami

 

 

 

Host-guest interaction between cucurbit[7]uril (CB[7]) and
para-nitrophenol (PNP) has been investigated by 1H NMR spectroscopy and isothermal titration calorimetry. The stoichiometry, binding constant and other thermodynamic parameters of complexation show formation of a weakly binding 1:1 inclusion complex, resulting from enthalpy-entropy compensation. Cyclic voltammetry of PNP-CB[7] complex in acidic pH reveals a large cathodic shift in the reduction potentials of PNP, indicating either stabilization of PNP or destabilization of the electroreduced product inside the CB[7] cavity.

 

 

 

 

513

 

Benzimidazole scaffold as dipodal molecular cleft for swift and efficient naked eye fluoride ion recognition via preorganized N-H and aromatic C-H in
aqueous media

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Anshu Jain, Ragini Gupta* & Madhu Agarwal

 

 

 

A series of cleft-like dipodal receptors, N,N'-bis-(5-(un)substituted-1H-benzoimidazol-2-ylalkyl)-isophthal-amides (RA-RD), has been synthesized and investigated for naked eye colorimetric detection of fluoride ion in 9:1 DMSO-water. The receptor RC, based
on  N,N'-bis-(5-nitro-1H-benzoimidazol-2-ylmethyl)-isophthalamide, binds fluoride ion exclusively with a detection limit of 1.5 ppm over other anions.

 

IJCA-998_Fig. 2.tif

 

 

 

Authors for correspondence are indicated by (*)

 

 

 

 

 

 


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Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 469-478

 

 

DFT studies on role of methoxy group in radical scavenging ability of quebrachitol and viscumitol

D Jeevithaa, K Sadasivama, * & R Praveenab

 aDepartment of Physics, Bannari Amman Institute of Technology (Autonomous), Sathyamangalam,

bDepartment of Chemistry, Bannari Amman Institute of Technology (Autonomous),  Sathyamangalam,

Erode 638 401, Tamil Nadu, India

Email: dftsada@gmail.com

Received 24 February 2017; revised and accepted 19 April 2017

The structure of quebrachitol and the influence of methoxy group on its radical scavenging ability is investigated by DFT studies. To study its electron donating ability, bond dissociation enthalpy (O-H BDE), frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) and molecular descriptors of quebrachitol and viscumitol are computed and compared. Charge delocalization and stability of the compounds are analyzed by natural bond orbital (NBO) method. The 4-OH radical of quebrachitol and 3-OH radical of viscumitol possess the least BDE and exhibit weak intramolecular hydrogen bonds which are clearly illustrated by NBO. The results show that quebrachitol, which has one methoxy group, can act as better radical scavenger than viscumitol having two methoxy groups at the same ring. The fundamental vibrational modes and wave numbers of quebrachitol are characterized theoretically based on potential energy distribution.

Keywords: Theoretical chemistry, Density functional calculations, Natural bond orbitals,
Potential energy distribution, Radical scavenging, Quebrachitol, Viscumitol

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 479-487

 

 

Structural characterization and photocatalytic properties of
hydrothermally synthesized Ni2+-TiO2 nanoparticles for
dye degradation under direct sunlight

Ravi Kamblea, Sandip Sabaleb, *, Prashant Chikodea, Vijaya Puric & Smita Mahajana

aDepartment of Physics, Jaysingpur College, Jaysingpur 416 101, India

Email: dr_smitamahajan@yahoo.com (SM)

bPG Department of Chemistry, Jaysingpur College, Jaysingpur 416 101, India

Email: srsabale@gmail.com (SB)

cDepartment of Physics, Shivaji University, Kolhapur 416 004, India

Received 13 November 2016; revised and accepted 28 April 2017

A Ni2+-TiO2 photocatalyst, efficient and highly active in sunlight has been prepared by a simple hydrothermal method using titanium isopropoxide (TTIP) precursor. The synthesized nanoparticles (NPs) have been analysed to determine its structural, optical, morphological and compositional properties using X-ray diffraction, Raman,
UV-DRS, photoluminescence, XPS, TEM and EDS. The EDS micrograph confirms the existence of Ni2+ atoms (0.65, 1.32 and 1.60 wt.%) in the TiO2 matrix. The average particle size obtained from TEM is 8-11 nm and is in good agreement with XRD results. Raman bands at 641.44 cm-1, 517.42 cm-1 and 398.43 cm-1 further confirm pure phase anatase in all samples. XPS shows the substitution of Ti4+ ions by Ni2+ ions in the TiO2 host lattice. The photocatalytic activity of these nanoparticles have been studied using malachite green dye under UV light, visible light and direct sunlight. The crystallite size and band gap decreases with increase in Ni2+ concentration which increase its catalytic activity under sunlight. The photocatalyst, Ni2+-TiO2 (1.60 wt.%), shows excellent photocatalytic activity in the visible and direct sunlight and hence it is a promising for environmental friendly photocatalytic applications.

Keywords: Photocatalytic activity, Nanoparticles, Hydrothermal synthesis, Dye degradation, Degradation, Nickel, Titania, Malachite green

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 488-492

 

 

Cu-ZSM-5 catalyzed low-temperature hydrogen peroxide-induced methane-to-methanol conversion

Y Zhanga, L F Allarda, Z Lib, M Kidderc & C K Narulaa, *

aMaterials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6133, USA

Email: narulack@ornl.gov; cnarula2us@yahoo.com

bEnergy & Transportation Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6133, USA

cChemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6133, USA

Received 1 February 2017; revised and accepted 21 April 2017

We report herein that Cu-ZSM-5 is an effective catalyst for methane oxidation with hydrogen peroxide, provided Cu-ZSM-5 is synthesized by ion exchange. The reaction conditions for efficient conversion of methane to methanol over  Cu-ZSM-5 are also reported.

Keywords: Catalysts, Cu-ZSM-5 catalysts, Methane oxidation by hydrogen peroxide, Methanol formation under moderate conditions, Ion exchange methods, Copper, Hydrogen peroxide

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 493-500

 

 

Poly(o-toluidine) salt as low cost electrode material for high
performance electrochemical supercapacitor

Hajera Gula, Salma Gula, b, Anwar-ul-Haq Ali Shahc & Salma Bilala, *

 National Center of Excellence in Physical Chemistry, University of Peshawar, Pakistan

Email: salmabilal@uop.edu.pk

bWomen University Swabi, 22102 Swabi, Pakistan

cInstitute of Chemical Sciences, University of Peshawar, 25120 Peshawar, Pakistan

Received 18 January 2017; revised and accepted 19 April 2017

Binder-free, low cost poly(o-toluidine) (POT) has been synthesized by emulsion polymerization method. The synthesized POT salt has been tested for supercapacitor application through cyclic voltammetry and galvanostatic charge discharge analysis. The POT salt exhibits a specific capacitance value of 301 F/g. The synthesized material was further characterized by FTIR, UV-visible spectroscopy and X-ray diffraction analysis.

Keywords: Electrochemistry, Electrodes, Cyclic voltammetry, Galvanostatic charge discharge,
Poly(o-toluidine)

 

 

 

 

 

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 501-507

 

 

A chemiluminescence sensor based on molecularly imprinted
polymer for determination of peimine

Hongping Hana, d, Hong Zhengb, c, *, Baolin Lia, *, Hui Xiangb & Yilan Zhangluob

aSchool of Chemistry & Chemical Engineering, Shaanxi Normal University, Shanxi, Xi’an, 710062, China

 

Email: baolinli@snnu.edu.cn (B-LL)

 

bDepartment of Chemistry, Chongqing Normal University, Chongqing, 401331, China

 

Email: zhenghong670@163.com (Z-H)

 

cQinghai Institute of Salt Lakes, Chinese of Academy of Sciences, Xining, 810000, China

 

dDepartment of Chemistry, Qinghai Normal University, Qinghai, Xining, 810008, China

 

Received 18 February 2017; revised and accepted 26 April 2017

 

The peimine-imprinted polymer has been synthesized and the binding characteristic of the imprinted polymer to peimine evaluated by equilibrium binding experiments. Using the imprinted polymer as recognition material, a simple, rapid and sensitive chemiluminescence sensor for the determination of peimine has been developed based on the chemiluminescence reaction of peimine with potassium permanganate in acidic medium.
The chemiluminescence intensity responds linearly to the concentration of peimine within the range of 5.0×10−7
to 5.0×10−5 mol L−1 with a detection limit of 2.0×10−7 mol L−1. The relative standard deviation for 3.0×10−6 mol L−1 peimine solution is 3.6% (n = 11). The sensor has been applied to the determination of peimine in Fritillaria cirrhosa D. Don, Fritillaria thunbergii Miq, and Fritillaria unibracteata Hsiao et k. c. Hsia samples with satisfactory results.

Keywords: Molecular imprinted polymers, Sensors, Chemiluminescence sensor, Peimine

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 508-512

 

 

Host-guest interaction of cucurbit[7]uril with para-nitrophenol:
A weakly binding inclusion complex

Sabyasachi Patraa, *, Sudip Goraib, D Rama Mohana Raoc, Manoj K Sharmad,
Sandip K Nayakb, Alok K Raye & A Goswamia

aRadiochemistry Division, bBio Organic Division, cRadioanalytical Chemistry Division,
dFuel Chemistry Division, eLaser & Plasma Technology Division, Bhabha Atomic
Research Centre, Trombay, Mumbai 400 085, India

Email: spatra@barc.gov.in; sspatra86@gmail.com (SP)

Received 7 March 2017; accepted 19 April 2017

Host-guest interaction between water soluble rigid molecular container cucurbit[7]uril (CB[7]) and a water soluble organic guest para-nitrophenol (PNP) has been investigated using 1H NMR spectroscopy and isothermal titration calorimetry. The stoichiometry, binding constant and other thermodynamic parameters of complexation have been obtained which show the formation of weakly binding 1:1 inclusion complex resulting from enthalpy-entropy compensation. Cyclic voltammetry study of PNP-CB[7] complex in acidic pH reveals a large cathodic shift in the reduction potentials of PNP, indicating either stabilization of PNP or destabilization of the electro-reduced product inside CB[7] cavity.

Keywords: Inclusion complexes, Host-guest interactions, Cucurbit[7]uril, para-Nitrophenol

 

 

Indian Journal of Chemistry

Vol. 56A, May 2017, pp. 513-518

 

 

Benzimidazole scaffold as dipodal molecular cleft for swift and efficient naked eye fluoride ion recognition via preorganized N-H and
aromatic C-H in aqueous media

Anshu Jaina, Ragini Guptaa, b, * & Madhu Agarwal

aDepartment of Chemistry, Malaviya National Institute of Technology Jaipur, India

bMaterials Research Centre, Malaviya National Institute of Technology Jaipur, India

cDepartment of Chemical Engineering, Malaviya National Institute of Technology Jaipur, India

Email: guptaragini@yahoo.com; rgupta.chy@mnit.ac.in

Received 20 June 2016; re-revised and accepted 26 April 2017

A series of elegantly designed cleft-like dipodal receptors, N,N'-bis-(5-(un)substituted-1H-benzoimidazol-2-ylalkyl)-isophthal-amides (RA-RD) has been synthesized and characterized for colorimetric detection of fluoride ion in 9:1 DMSO-water. The phenyl ring in the molecular framework of receptors is symmetrically armed with two benzimidazole moieties using amide groups as linkers to yield dipodal receptors, with multiple hydrogen bond donor sites for anion sensing. Anion binding studies, conducted qualitatively and spectroscopically in
9:1 DMSO-water, show that the receptor RC binds fluoride ion exclusively with a detection limit of 1.5 ppm over other anions. UV-visible spectra of receptor RC shows a considerable bathochromic shift of 117 nm from 348 nm to 465 nm upon addition of varying concentrations of fluoride ion (tetrabutylammonium salt). Jobs plot and mass spectroscopic data confirm 1:1 stoichiometric ratio between receptor RC and fluoride ion. 1H NMR titration reveals the presence of hydrogen binding interactions between receptor RC and fluoride ion responsible for naked eye colour change. 19F NMR titration further supports the binding interaction between receptor RC and fluoride ion. The binding constant of receptor RC for fluoride ion is calculated to be
5.59×103 M-1.

Keywords: Molecular recognition, Anion recognition, Fluoride ion recognition, Dipodal receptors, Colorimetric receptors Benzimidazoles, Preorganisation