Articles written in Journal of Chemical Sciences
Volume 128 Issue 4 0000 pp 511-522 Regular Articles
This work deals with the synthesis and characterization of a series of three N-Dehydroacetic acid-4-phenyl-3-thiosemicarbazide (H²dha-ptsc) Schiff base Cu(II) complexes based on combined experimentaland theoretical approach, having the general composition formula as [Cu(dha-ptsc)(L-L)], where L-L is H²O,2,2-bipyridine (bipy) or 1,10-phenanthroline (phen). H²O containing complex acts as origin for the latter twocomplexes and in due course, the geometry of the complex changes from square planar to square pyramidal.DFT calculations were carried out for both the geometrical forms. B3LYP/LANL2DZ level of theory was usedto carry out the required computations. From the overall DFT computations, square pyramidal geometry wasfound to be more stable as compared to the square planar conformation for the complexes under investigation.Super oxide dismutation, thermal behaviour and electrochemical activity were also studied. The results haveshown satisfactory super oxide scavenging potential, high degree of thermal resistance and efficient redoxproperties for the title complexes. Moreover, charge analysis and nonlinear optical properties were computedto establish a comprehensive note of atomic constituents differing in nature of charge delocalization.
Volume 130 Issue 2 February 2018 Article ID 0017
In the present article a group theoretical approach has been used to explain different electron-count rules for aromaticity. A general group theoretical method is presented to derive and unite the different electron count rules (Hückel,Baird,Möbius, and Spherical aromaticity). It is shownthat continuous groups play important role in understanding of these electron count rules.
Volume 130 Issue 3 March 2018 Article ID 0027
The catalytic active-phase of reduced Mo species plays a vital role in non-oxidative methane dehydroaromatization (MDA) reaction. Pretreatment effect of one of the gases containing N2, H2 and (90 vol%) CH4 + H2 over 15% Mo-loaded HZSM-5 catalyst has been investigated in the present work. Various spectroscopic investigations viz., XRD, TPR, TPO, XPS, etc., show that the pretreatment of 15% Mo-HZSM-5 catalyst with (90 vol%) CH4 + H2 gas stream exclusively leads to the formation of MoOxCyHzwhich acts as precursor moieties for the formation of highly active metastable
Volume 131 Issue 3 March 2019 Article ID 0023
The effect of anharmonicity on the energy relaxation of excited state has been studied by means of a dissipative oscillator. The present study also sheds light on the recent femtosecond stimulated Raman spectroscopy results of Kovalenko et al. (
Volume 132 All articles Published: 20 June 2020 Article ID 0077
An efficient, fast, and straightforward procedure for the synthesis of arylazoxy sulfides can be achieved by coupling reaction between aryl nitrasocompounds and tribenzenesulphenamide under microwave irradiation. Using the present method, different kinds of aryl nitrasocompounds containing various dioxolanerings and various tribenzenesulphenamide derivatives were rapidly converted to the corresponding arylazoxy sulfides in good yield and short reaction time. The use of non-toxic solvent, simple and clean work-up, short reaction times and good yields are the advantages of this method.
Volume 134, 2022
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