Welcome to the

PhD Student: Madulata Shukla

Email: madhu1.shukla{at}gmail.com

Academic Qualifications:

Ph.D    Pursuing Banaras Hindu University Varanasi,India
M.Sc. 2008 Banaras Hindu University Varanasi,India
B.Sc.        2004 Banaras Hindu University Varanasi,India
Intermediate  2001 CBSE
High School 1999 CBSE


Ph.D. Thesis Title:  Spectroscopic and DFT Studies of Ionic Liquids, Donor –         
                                    Acceptor Organic Molecules and Inorganic Complexes.

Research Interest: 

  •     Ionic Liquids,  Donor-Acceptor molecules
  •     DFT calculation, Molecular Dynamics  

List of Publications

  •   Relationship between stabilization energy and thermophysical properties of  different imidazolium ionic liquids: DFT studies M. Shukla and S. Saha        Comput. and Theor. Chem. 1015 (2013) 27-33.
  • Water Square (uudd) in Novel CuII Framework Structures Built from Isomeric (Aminomethyl)pyridines and Oxalate: Synthesis, Structure, Spectral and DFT studies M. Shukla, B. Kharedia, N. Srivastava, S. Saha and S. Sunkari    Polyhedron 54(2013) 164-172.
  • A comparative study of Piperidinium and Imidazolium based Ionic Liquids: Thermal, Spectroscopic and Theoretical Studies M. Shukla and S. Saha, book chapter in Ionic Liquids - New Aspects for the Future" edited by Jun-ichi Kadokawa, 2013, pp 61-84ISBN 980-953-307-626-8.
  • Investigation of Ground State Charge Transfer Complex between Paracetamol and p-Chloranil through DFT and UV-visible studies, M. Shukla, N. Srivastava and S. Saha J. Mol. Struc. 1021 (2012) 153-157.
  • Interaction and transitions in imidazolium cation based Ionic Liquids, M. Shukla, N. Srivastava and S. Saha, in Ionic Liquids-Classes and Properties, edited by Scott T. Handy2011, pp 153-170, ISBN- 978-953-307-634-8.
  • An unusual way to synthesize 1-nitronaphthalene from 1-amino-5-nitronaphthalene N. Srivastava, M. Shukla& S. Saha African J. Phar. Pharma.,5 (2011) 542-546.
  • Synthesis, structure, UV-visible-IR spectra, magnetism and theoretical studies on CuII[(2-aminomethyl)pyridine](thiocyanate)2 and comparisions with an analogus Cu complex. M. Shukla, N. Srivastava, S. Saha, T.R. Rao and S. Sunkari Polyhedron30 (2011) 754-763.
  • An unusual effect of charcoal on purification of alkylimidazolium iodide RTILs, N. Srivastava, M. Shukla & S. Saha Ind. J. Chem. 49A (2010) 757-761.
  • Theoretical and spectroscopic studied of 1-butyl-3-methylimidazolum iodide RTILs: Its differences with chloride and bromide derivatives, M. Shukla, N. Srivastava and S. Saha J. Mol. Struc. 975 (2010) 349-356.

Participation in Conference/Symposium/Workshop:

  • Oral Presentation in National Symposium on Chemistry and Environment     “Spectroscopic and DFT study of ground state charge transfer complex between paracetamol and p-chloranil”, at BHU during 15th -16th March 2013.
  • Poster presentation in Indo-US workshop at BHU on Electrocatalytic materials for Fuel and Biofuel Cells “Synthesis and electrochemical Application of 1-butyl-3-

methylimidazolium iodide insitu generated I2” held during 26th-28th Feb.2013.

  • Poster presentation in 15th CRSI National Symposium in Chemistry, 2013 at BHU, “Cation - Anion interaction studies in imidazolium and piperidinium based ILs:  Spectroscopic and DFT studies” 31st Jan - 3rd Feb 2013 (Best poster award).
  • Gaussian Workshop “Introduction to Gaussian: Theory and Practice” held in Delhi attended during 17th -21st Dec 2012.
  • Workshop attended in “Science Academics Lecture Workshop on Molecular Spectroscopy: Theory, Instrumentation and Application”, at BHU during 2nd - 3rd March 2012.
  • Poster presentation in 6th National conference on Thermophysical properties, “Thermal and physical properties of Ionic Liquids” during 11th - 13th Oct. 2011.
  • Oral Presentation on “Spectroscopic and DFT study of 1-butyl-3-methyl Imidazolium halide Ionic Liquids”, in National seminar on Interface of Industry, Biology and Chemistry Research in 21st Century, 2011 during 5th - 7th Feb 2011.
  • Poster presentation in National Symposium on Emerging trends in Chemical Sciences “The color issue: should di-substituted imidazolium halide ionic liquids be colored?” during  19th - 20th Feb. 2011
  • Workshop on Electronic and Ionic Materials and Devices under UGC Networking Programme, 25th – 27th March 2011.
  • Poster Presentation, International Conference on Multifunctional Materials “Spectroscopic and theoretical studies of imidazolium based ionic Liquids with monoatomic halide anions” during 7th - 9th Dec. 2010.
  • Poster Presentation in National conference on Experimental tools for materials Science research: state of art. “Spectroscopic characterization of halide ions” during 3rd - 4th Dec. 2010.