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 54A

NUMBER 8

AUGUST 2015

 

CONTENTS

 

 

1017

 

Chiroptical spectroscopic properties of natural
T-muurolols:
A DFT and TD-DFT study

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Gao-Zhang Gou*, Zhou Bo, Ling Shi, Shi-Juan Xu,
He-Ping Yan, Wei Liu* & Chao-Yong Mang

 

 

 

Molecular structure analysis suggests that the optical
rotation
values are regulated by hydroxyl substitution on the molecular skeleton.

 

 

 

 

1026

 

Preparation and characterization of nitrogen doped K2M2Ti6O16 (M = Cr and Fe) with enhanced photocatalytic activity

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

S Ramakrishna, N Mahender, J R Reddy,
Sreenu Kurra, E Nagabhushan & M Vithal
*

 

 

 

Nitrogen doped Hollandite type K2M2Ti6O16 (M = Cr, Fe) oxides show higher photocatalytic activity for degradation of methylene blue than their parent analogues. The activity is due to only photodegradation and not due to the photosensitization of the dye.

 

 

 

 

 

1032

 

Solvent-free liquid phase oxidation of styrene over iron zirconium phosphate using tert-butylhydroperoxide
as an oxidant

 

 

 

 

 

 

 

 

S Khare*, R Chokhare, P Shrivastava & J S Kirar

 

 

 

a-ZrP.Fe(III)/TBHP system gives maximum conversion (28.81%) for oxidation of styrene in 5 hours. The catalyst can be reused for three cycles.

 

 

 

Notes

 

1039

 

Anion recognition properties of receptor based on
2-linked trisindolymethene

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Wei Wei*, Shi Jun Shao & Yong Guo

 

 

 

Receptor based on 2-linked trisindolymethene can selectively recognize F, AcO and H2PO4 in CH3CN, which can be detected by visible color change. It can also binding with F and AcO in water-containing solutions shown by visible color change from violet to colorless.

 

 

 

 

 

1044

 

Synthesis, characterization and catalytic activity of titanium dodecylamino phosphate for synthesis of tetrahydrobenzo[a]xanthen-11-ones

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

A Rajini & N Venkatathri*

 

 

 

Titanium dodecylamino phosphate catalyst has been synthesized and characterized by various techniques. Titanium dodecylamino phosphate efficiently catalyses synthesis of tetrahydro-benzo[a]xanthen-11-ones at room temperature, forming the products in high yields.  An equal molar mixture of methanol and water is found to be a suitable solvent.

 

 

 

 

1051

 

Molecularly imprinted polymer for detection of endocrine disrupting chemical epinephrine in drinking water and biological buffers

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Darshana G Gour & Reddithota J Krupadam*

 

 

 

A polymer for selective extraction of epinephrine has been prepared using molecular imprinting technique with two functional monomers, viz., vinylbenzyl chloride and divinylbenzene. The imprinted polymer shows selective extraction of epinephrine from water with a capacity of 9.82 mg g-1, which is reduced to 9.45 mg g-1 in biological buffer (pH 7.0). The polymer shows better selectivity for epinephrine (93%) in water in the presence of bisphenol-A and nicotine as compared to the commercial polymer, XAD.

 

 

 

 

1057

 

Copper pyrovanadate as an effective photo-Fenton-like catalyst for degradation of methylene blue

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Sangeeta Kalal, Narendra Pal Singh Chauhan,
Arpita Pandey, Rakshit Ameta & Pinki Bala Punjabi
*

 

 

 

Photo-Fenton-like degradation of methylene blue has been carried out using copper pyrovanadate and hydrogen peroxide as a novel catalytic system. The catalyst mineralizes the dye with photodegradation efficiency of 69.07% in visible light.

 

GA

 

 

Authors for correspondence are indicated by (*)

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 


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Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1017-1025

 

 

Chiroptical spectroscopic properties of natural T-muurolols:
A DFT and TD-DFT study

Gao-Zhang Goua, b, *, Zhou Boa, b, Ling Shia, b, Shi-Juan Xua, b, He-Ping Yana, b, Wei Liua, b, * & Chao-Yong Mangc

aSchool of Science, Honghe University, Mengzi, Yunnan 661100, PR China

bKey Laboratory of Natural Pharmaceutical & Chemical Biology of Yunnan Province, Yunnan 661100, PR China

cCollege of Pharmaceutical Science and Chemistry, Dali University, Dali, Yunnan 671000, PR China

Email: hhxylxyhxx@126.com (GZG)/ liuwei4728@163.com (WL)

Received 22 June 2015; revised and accepted 22 July 2015

The optical rotation (OR) values, vibrational circular dichroism (VCD), and electronic circular dichroism (ECD) spectra of a series of newly discovered bioactive molecules, ()-T-muurolol A~D, have been calculated using the gradient-corrected density functional theory method. The vibrational and transition modes of molecular chirality are explored in terms of their microscopic origin. OR analysis indicates that optical rotation values are regulated by hydroxyl substitution. The sum of vibrational rotation strength (Rj) ΣRj and electric rotatory strength (Re) ΣRe has been used to estimate the OR magnitudes symbol marked on the left and right hand. Vibrations occurring on the chiral skeleton may cause strong absorption in VCD spectra; VCD spectra are thus the spectral response occurring as a result of deformation vibrations on the chiral carbon skeleton. The highest-energy negative Cotton effect is caused by σ→π* transition. Frontier molecular orbital analysis shows that strong ECD absorptions are produced when the dominant transition on the chiral skeleton is asymmetric; ECD spectra are thus the spectral response occurring as a result of transitions lacking asymmetry on the chiral skeleton.

Keywords: Theoretical chemistry, Optical activity, Density functional calculations, Circular dichroism,
Cotton effect, Sesquiterpenes, T-Muurolol

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1026-1031

 

 

Preparation and characterization of nitrogen doped K2M2Ti6O16
(M = Cr and Fe) with enhanced photocatalytic activity

S Ramakrishnaa, N Mahenderb, J R Reddya, Sreenu Kurraa, E Nagabhushanb & M Vithala, *

aDepartment of Chemistry, University College of Science, Osmania University, Hyderabad 500 007, India

Email: mugavithal@gmail.com

bDepartment of Chemical Engineering, University College of Technology, Osmania University, Hyderabad 500 007, India

Received 18 April 2015; revised and accepted 24 July 2015

Hollandite type K2M2Ti6O16 (M = Cr, Fe) oxides have been prepared and doped with nitrogen to increase its photocatalytic activity. The N-doped analogues have been synthesized by heating the mixture of K2M2Ti6O16 and urea at 400 °C and characterized by powder X-ray diffraction, FT-IR, SEM-EDS and UV-visible diffuse reflectance spectra. The band gap energy of all the compounds has been obtained by their DRS spectra. The photocatalytic properties of the catalyst samples have been studied by the degradation of methylene blue under visible light irradiation.

Keywords: Photocatalysts, Band gap, Dye degradation, Nitrogen doping, Doping, Sol-gel method, Hollandite, Titanates, Oxide

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1032-1038

 

 

Solvent-free liquid phase oxidation of styrene over iron zirconium phosphate using tert-butylhydroperoxide as an oxidant

S Khare*, R Chokhare, P Shrivastava, J S Kirar

School of Chemical Sciences, Takshashila Campus, Khandwa Road
Devi Ahilya University, Indore (M P) 452 001, India

Email: kharesavita@rediffmail.com

Received 6 April 2015; revised and accepted 22 July 2015

Iron(III) a-zirconium phosphate (a-ZrP.Fe(III)) has been synthesized by ion exchange method and characterized by BET surface area, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray analysis, Fourier transform infrared, Mössbauer and atomic absorption spectroscopy. The catalytic activity is studied for oxidation of styrene using 70% tert-butylhydroperoxide as an oxidant. In the oxidation reaction, styrene is oxidized to benzaldehyde and styrene oxide. A maximum 84.75% selectivity for benzaldehyde with 28.81% conversion of styrene is observed after 5 hours. The catalyst can be recycled three times without significant loss of catalytic activity.

Keywords: Catalysts, Ion exchanger, Zirconium phosphate, Styrene, Oxidation, tert-Butylhydroperoxide

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1039-1043

 

 

Anion recognition properties of receptor based on
2-linked trisindolymethene

Wei Weia, *, Shi Jun Shaob & Yong Guob

aMaterial and Chemical Engineering College, Sichuan University of Science and Engineering, Zigong, 643000, PR China

Email: weiw0811@163.com

bKey Laboratory of Chemistry of Northwestern Plant Resources and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, PR China

Received 27 February 2015; revised and accepted 22 July 2015

A compound based on 2-linked trisindolymethene is studied as a new anion receptor. This receptor selectively F, AcO and H2PO4 recognizes by visible color changes. It binds with F, AcO and H2PO4 by double hydrogen bonding interactions, and favorable color changes of violet-to-colorless are observed clearly. The addition of excessive F induces further deprotonation of the receptor, exhibiting the color change from violet to yellow. Due to the positive charge in the molecular structure of the receptor, it can even binding with F and AcO in water-containing solution by color change.

Keywords: Molecular recognition, Anion receptor, Indole-based receptor, Colorimetry, Spectroscopy, Indolymethene

 

 

 

 

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1044-1050

 

 

Synthesis, characterization and catalytic activity of titanium dodecylamino phosphate for synthesis of tetrahydrobenzo[a]xanthen-11-ones

A Rajini & N Venkatathri*

Department of Chemistry, National Institute of Technology, Warangal 506 004, Telangana, India

Email: venkatathrin@yahoo.com

Received 11 April 2015; revised and accepted 31 July 2015

Titanium dodecylamino phosphate catalyst has been synthesized and characterized by various techniques. Titanium dodecylamino phosphate efficiently catalyses tetrahydrobenzo[a]xanthen-11-ones synthesis at room temperature and the products are formed in high yields.  An equal molar mixture of methanol and water is found to be a suitable solvent. The  catalyst can be recycled.  Influence of various reaction parameters such as various solvents, catalyst dosage, effect of substituents on aldehydes and reusability have been studied.  A plausible mechanism on its synthesis is  proposed.

Keywords: Catalysts, Titanium dodecylamino phosphate, Xanthenes, Benzoxanthenes, Tetrahydrobenzo[a]xanthen-11-ones

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1051-1056

 

 

Molecularly imprinted polymer for detection of endocrine disrupting chemical epinephrine in drinking water and biological buffers

Darshana G Gour & Reddithota J Krupadam*

CSIR-National Environmental Engineering Research Institute, Nehru Marg, Nagpur 400 020, India

Email: rj_krupadam@neeri.res.in

Received 14 May 2015; revised and accepted 24 July 2015

A polymer for selective extraction of epinephrine has been prepared using molecular imprinting technique with two functional monomers, viz., vinylbenzyl chloride and divinylbenzene and a simple and sensitive analytical procedure has been developed for detection of epinephrine, a neurotransmitter and an emerging pollutant, in drinking water resources.. The imprinted polymer shows selective extraction of epinephrine from water with a capacity of 9.82 mg g-1, which is reduced to 9.45 mg g-1 in biological buffer (pH 7.0). The polymer shows better selectivity for epinephrine in water in the presence of bisphenol-A and nicotine (93%) as compared to the commercial polymer, XAD. The selective adsorption mechanism of the polymer has been investigated using infrared spectroscopy.

Keywords: Analytical chemistry, Solid phase extraction, Molecularly imprinted polymers, Imprinted polymers, Epinephrine, Water pollution

 

 

 

 

 

 

 

 

Indian Journal of Chemistry

Vol. 54A, August 2015, pp. 1057-1061

 

 

Copper pyrovanadate as an effective photo-Fenton-like catalyst for degradation of methylene blue

Sangeeta Kalala, Narendra Pal Singh Chauhanb, Arpita Pandeya, Rakshit Ametac & Pinki Bala Punjabia, *

aPhotochemistry Laboratory, Department of Chemistry, ML Sukhadia University,
Udaipur 313 001, Rajasthan, India

Email: pb_punjabi@yahoo.com

bDepartment of Chemistry, BNPG College, Udaipur 313 001, Rajasthan, India

cDepartment of Chemistry, Pacific College of Basic & Applied Sciences (PAHER) University, Udaipur 313 003, Rajasthan, India

Received 9 February 2015; revised and accepted 31 July 2015

Visible light-based photo-Fenton-like catalytic performance of Cu3V2(OH)2O7.2H2O is investigated using methylene blue as the target pollutant. Specific surface area, structure, and particle size distribution of the catalysts and its components are investigated by techniques such as standard Brunauer-Emmett-Teller isotherms, X-ray diffraction, scanning electron microscope and energy dispersive X-ray spectroscopy Under optimized conditions in the Cu3V2(OH)2O7.2H2O-H2O2-visible light system, the degradation efficiency and the pseudo first-order rate constant are found to be 69.07% and 4.23×10-4 s-1 respectively. The new bifunctional material is found to be a promising material for use as a Fenton-like catalyst for the degradation of organic contaminant in waste water. Copper and vanadium leaching from the catalyst is almost negligible, which demonstrates the stability of the catalyst; the catalyst is very stable and can be reused for at least four cycles when operated under near neutral pH.

Keywords: Catalysts, Photocatalysts, Degradation, Dye degradation, Methylene blue