Dr. Akhilesh Kumar SinghAssistant Professor
School of Basic Sciences

Research Interests


1. T1 and ParaCEST Contrast Agents for MRI


2. Magnetochemistry of 3d and 4f Based Supramolecules


3. Fluorogenic and Chromogenic Chemosensors


4. Ionic Liquids as Electrolyte Additives in Lithium Ion Battery


5. Stabilization of Unusual High Oxidation States of 3d Metal Ions


Contact Details

  • 221, School of Basic Sciences, IIT Bhubaneswar Campus, Arugul, 752 050.
  • Office: +91-674-7135114; Lab: +91-674-7135350
  • aksingh@iitbbs.ac.in, akhileshiitk@gmail.com

Other Profile Link(s)


 Degree Discipline Year School
 Postdoc Inorganic/Medicinal Chemistry 2008-2009 Ecole Normale Superiere de Lyon, France
 Postdoc Inorganic Chemistry 2007-2008 University of Goettingen, Germany
 Postdoc Inorganic Chemistry Sept 2006 - Feb 2007 Indian Institute of Technology Kanpur
 Ph. D. Chemistry 2002-2007 Indian Institute of Technology Kanpur
 M. Sc. Chemistry (INORGANIC) 1999-2001 Banaras Hindu University, Varanasi
 B. Sc. Chemistry (Hons.) 1996-1999 Banaras Hindu University, Varanasi




 [1]. CHEMISTRY (B. TECH. 1ST Yr.) (CY1L001);






Amount (L)

Metal Complexes of Macrocyclic/Acyclic ligands with Pendant Arms having exchangeable protons as ParaCEST-based Contrast Agents for MRI


3 Yrs.

27.2 (Approx)

Dec. 2020- Dec 2023 (Ongoing)

Magnetic Properties of

Self-Assembled Bivalent, Trivalent and Mixed Valent [2x2] Transition Metal Grids



2.5 + JRF (Finished)

High Dimensional

[n x n] Magnetic Grids by Polytopic Ligand Directed Self Assembly



41.08 (Finished)

Functional Metalloupramolecular Arrays: High Dimension Metal Ion Grid

IIT Bhubaneswar

Seed Money



5.00 (Finished)

Recent Publications (International Journals)

131. Juhi Singh, Suvam Kumar Panda and Akhilesh Kumar Singh*, "Recent developments in supramolecular complexes of azabenzenes containing one to four N atoms: synthetic strategies, structures, and magnetic properties" RSC Advances,12 (29), 18945 - 18972.
230. Aakash Santra, Sagarika Mishra, Suvam Kumar Panda and Akhilesh Kumar Singh*, "ESIPT and PET-based easy-to-synthesize unsymmetrical ligand in the reversible fluorimetric sensing of Al3+ and relay sensing of inorganic and biological phosphates" Inorganica Chimica Acta, 2022, 537, 120933. (DOI: 10.1016/j.ica.2022.120933)
329. An efficient PET-based probe for detection and discrimination of Zn2+ and Cd2+ in near-aqueous media and live-cell imaging SK Panda, S Mishra, P Mamidi, S Chattopadhyay, AK Singh*, Journal of Photochemistry and Photobiology A: Chemistry, 2022, 113816.
428. Real time sensor for Fe3+, Al3+, Cu2+ & PPi through quadruple mechanistic pathways using a novel dipodal quinoline-based molecular probe, S Mishra, AK Singh*, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022, 120832.
527. Sagarika Mishra and Akhilesh Kumar Singh*, "Optical Sensors for Water and Humidity and Their Further Applications" Coord. Chem. Rev. 2021, 445, 214063 - 214098. (DOI: 10.1016/j.ccr.2021.214063)
626. Suvam Kumar Panda, Sagarika Mishra and Akhilesh Kumar Singh*, "Recent Progress in the development of MOFs-based optical sensors for Fe3+" Dalton Trans., 2021, In Press. (DOI: 10.1039/D1DT00353D).
725. Sayed Muktar Hossain, Gourab Kumar Dam, Sagarika Mishra and Akhilesh Kumar Singh*, "A nano-molar level fluorogenic and oxidation state-selective chromogenic dual reversible chemosensor for multiple targets, Cu2+/S2- and Fe3+/F- ions", New J. Chem, 2020, 44, 15186 - 15194. (DOI: 10.1039/d0nj02777d)
824. Kajari Chatterjee , Anil D. Pathak , Kisor Kumar Sahu * and Akhilesh Kumar Singh*, A new thiourea based ionic liquid as electrolyte additive to improve cell safety and enhance electrochemical performance in Lithium-Ion Batteries", ACS Omega, 2020, 5, 16681-16689. (https://dx.doi.org/10.1021/acsomega.0c01565)
923. Sagarika Mishra, Sayed Muktar Hossain and Akhilesh Kumar Singh*, A hydrazide-based ditopic reversible probe for Al3+ and sequential detection of PPi, ATP and ADP in semi-aqueous medium", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 240, 118600. (DOI: 10.1016/j.saa.2020.118600)
1022. Kajari Chatterjee, Anil D. Pathak, Avinash Lakma, Chandra Shekhar Sharma, Kisor Kumar Sahu* and Akhilesh Kumar Singh*, "Synthesis, characterization and application of a nonflammable dicationic ionic liquid in lithium-ion battery as electrolyte additive", Scientific Reports, 2020,10(1),9606. (DOI:10.1038/s41598-020-66341-x)
1121. Sayed Muktar Hossain, Ved Prakash, Prabhudutta Mamidi, Soma Chattopadhyay and Akhilesh Kumar Singh*, "Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application" RSC Advances, 2020, 10, 3646-3658.
1220. Rabindra Nath Pradhan, Subhayan Chakraborty, Pratibha Bharti, Janesh Kumar, Arindam Ghosh* and Akhilesh K. Singh*, “Seven coordinate Co(II) and six coordinate Ni(II) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI”, Dalton Trans. 2019, Dalton Trans., 2019, 48, 8899–8910.
1319. Avinash Lakma, Sayed Muktar Hossain, Jan van Leusen, Paul Kögerler*, and Akhilesh Kumar Singh*, “Tetranuclear MnII, CoII, CuII and ZnII Grid Complexes of an Unsymmetrical Ditopic Ligand: Synthesis, Structure, Redox and Magnetic properties”, Dalton Trans. 2019, 48, 7766-7777.
1418. Rabindra N. Pradhan, Sayed M. Hossain, Avinash Lakma, Dragana D. Stojkov, Tatjana Ž. Verbić, Goran Angelovski, Rosa Pujales–Paradela, Carlos Platas–Iglesias, Akhilesh K. Singh., "Water soluble Eu(III) complexes of macrocyclic triamide ligands: Structure, stability, luminescence and redox properties", Inorganica Chimica, Acta 2019, 486, 252.
1517. Avinash Lakma, Rabindra Nath Pradhan, Sayed Muktar Hossain, Jan van Leusen, Paul Kögerler, Akhilesh Kumar Singh, "Synthesis, structure and magnetic properties of Ni(II) and Cu(II), [2×2] grid complexes of pyrimidine-based symmetric ditopic ligands", Inorganica Chimica Acta 2019, 486, 88.
1616. Avinash Lakma, Sayed Muktar Hossain, Rabindra Nath Pradhan and Akhilesh Kumar Singh*, "Metal directed self-assembly of Tetranuclear CuII and NiII clusters", Journal of Chemical Sciences, 2018, 130 (7), 80.
1715. Dragana D. Stojkov, Rabindra N. Pradhan, Goran Angelovski, Carlos Platas–Iglesias, Akhilesh K. Singh, Tatjana Ž. Verbić, "Protolytic equilibria and stability of a pair of novel pentaaza macrocyclic chelators", 6th IPCA, 2017, P08.
1814. Sayed Muktar Hossain, Avinash Lakma, Rabindra Nath Pradhan, Serhiy Demeshko and Akhilesh Kumar Singh*, “Valence Directed Binding Mode of [2x2] Iron Grids of an Unsymmetrical Picolinic Hydrazone based Ligand”, Dalton Trans. 2017, 46, 12612-12618.
1913. Sayed Muktar Hossain, Kalpana Singh, Avinash Lakma, Rabindra Nath Pradhan, Akhilesh Kumar Singh, “A schiff base ligand of coumarin derivative as an ICT-Based fluorescence chemosensor for Al3+”, Sensors and Actuators B, 2017, 239, 1109–1117.
2012. Avinash Lakma, Sayed Muktar Hossain,Rabindra Nath Pradhan,Dinesh Topwal, Andrea Cornia & Akhilesh Kumar Singh, "Expansion of a Discrete [3 × 3] Mn9 Metallogrid to a µ- Carboxylato-Bridged Polymeric {Mn11}n Assembly", Eur. J. Inorg. Chem. 2016, 2993–2999.
2111. Sayed Muktar Hossain, Avinash Lakma, Rabindra Nath Pradhan, Ayon Chakraborty, Ashis Biswas and Akhilesh Kumar Singh*, “Synthesis and characterization of a novel, ditopic, reversible and highly selective, “Turn-On” fluorescent chemosensor for Al3+ ion”, RSC Adv. 2015, 5, 63338–63344.
2210. Sharmila Pandey, Partha Pratim Das, Akhilesh Kumar Singh and Rabindranath Mukherjee, “Cobalt(II), nickel(II) and copper(II) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and MIII–MII redox potential” Dalton Trans. 2011, 40, 10758-10768.
239. J. Hasserodt, F. Touti, J. Kolanowski, A. K. Singh, R. Steinhoff, P. Maurin, L. Canaple, O. Beuf, J. Samarut "Progress in the Design of Iron (Ii)-Based Probes to Highlight Enzyme Activity in Magnetic Resonance Images" Bulletin Du Cancer 2011, 98, S71-S72.
248. Faycal Touti, Akhilesh Kumar Singh, Philippe Maurin, Laurence Canaple, Olivier Beuf, Jacques Samarut, and Jens Hasserodt “An Electroneutral Macrocyclic Iron(II) Complex That Enhances MRI Contrast in Vivo”, J. Med. Chem. 2011, 54, 4274-4278.
257. Akhilesh Kumar Singh, Jarl Ivar van der Vlugt, Serhiy Demeshko, Sebastian Dechert, and Franc Meyer, “Bis(terdentate) Pyrazole/Pyridine Ligands: Synthesis, Crystal Structures and Magnetic Properties of Bridged Binuclear and Tetranuclear Copper(II) complexes” Eur. J. Inorg. Chem. 2009, 3431-3439.
266. Akhilesh Kumar Singh, Wilson Jacob, Jean-Pierre Tuchagues, and Rabindranath Mukherjee, “A tetragonal core with asymmetric iron environments supported solely by Bis(?-OH){?-(O–H…O)} bridging and terminal Pyridine amide (N, O) coordination: A new member of the tetrairon(III) family” Eur. J. Inorg. Chem. 2008, 2820-2829.
275. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Cobalt(II) and cobalt(III) complexes of thioether-containing hexadentate pyrazine amide ligands: C–S bond cleavage and cyclometallation reaction”, Dalton Trans. 2008, 260-270.
284. Akhilesh Kumar Singh and Rabindranath Mukherjee, “"Synthesis and crystal structure of a copper(II) complex of deprotonated N,N'-bis(2-pyridine-carboxamide)-2,2'-biphenyl: Comparative redox study of CuN4 pyridine amide complexes", Inorg. Chim. Acta 2007, 360, 3456-3461.
293. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Structure and Properties of Bivalent Nickel and Copper Complexes with Pyrazine-amide-thioether Coordination: Stabilization of Trivalent Nickel”, Dalton Trans. 2005, 2886-2891.
302. Akhilesh Kumar Singh and Rabindranath Mukherjee, “Bivalent and Trivalent Iron Complexes of Acyclic Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination”, Inorg. Chem. 2005, 44, 5813-5819.
311. Akhilesh Kumar Singh, V. Balamurugan and Rabindranath Mukherjee, “Synthesis and Characterization of Low-Spin and Cation Radical Complexes of Ruthenium(III) of a Tridentate Pyridine Bis-Amide Ligand”, Inorg. Chem. 2003, 42, 6497-6502.

Conferences (International)

1OCS-2019 (Organic Chemistry Symposium-2019, held at Hyatt Regency, Lucknow, jointly organized by Department of Chemistry, IISER Bhopal and IIT Kanpur on 14th September, 2019. Title of Invited Talk: "ParaCEST contrast agents for MRI".
2YTCS-2019, (Young Talents in Chemical Sciences-2019) held at Sandy Towers, Bhubaneswar, organized by Institute of Chemical Technology, Bhubaneswar on 22nd November, 2019. Title of the Invited talk: "Application of coordination metal complexes as Magnetic resonance imaging and Fluorescence imaging".
3National Bio-Organic Chemistry Conference (NBCC-2018) on 24th December 2018 at NISER Bhubaneswar. Title of the Invited Talk: "Molecular Contrast Agents for MRI".
417th CRSI National Symposium in Chemistry February 06-08, 2015, CSIR-NCL, Pune. Title of the Poster: “Synthesis and Characterization of Highly Selective, Ditopic, ‘Turn-on’ & Reversible Fluorescent Chemosensor for Al+3 Ion and Its Theoretical Calculations”
5MODERN TRENDS IN INORGANIC CHEMISTRY – XV, IIT Roorkee, Dec 13-16, 2013. Title of the Poster: “Synthesis and Characterization of 2x[2x2] Co(II) Magnetic Grid”
6THE 15TH ASIAN CHEMICAL CONGRESS (15ACC), Singapore, 19TH-23RD AUGUST 2013. Title of the Poster: “Electroneutral Model Complexes of Gd(III) and Fe(II) as MRI Contrast agent”
73rd Asian Conference on Coordination Chemistry, New Delhi, India, 17th – 20th October, 2011. Title of the Poster: “Design and Synthesis of Polytopic Ligands for High-Dimensional [nxn] Magnetic Grids”
8International Symposium on Frontiers in Inorganic Chemistry (FIC-2010) December 11-13, 2010, IACS, Kolkata. Title of the Poster: “An Iron-based Model Complex for functional in vivo Magnetic Resonance Imaging”
9Chemical Research Society of India-2006, IIT Mumbai . Title of the poster: “Co(II) and Co(III) Complexes of Thioether-containing Pyrazine Amide Ligands: Effect of Ligand Ring Size on Metal Oxidation State”
10ICBIC-12 (International Conference on Biological Inorganic Chemistry-12)-2005, University of Michigan, Michigan, An Arbor, USA. Title of the Poster: “Bivalent and Trivalent Iron Complexes of varying Nuclearity with Pyridine/Pyrazine Amide Ligands. Inorganic and Bioinorganic Perspectives”.
11DST Sponsored Workshop in Bioinorganic Chemistry-2005, IISC Bangalore (Oral presentation) Title of the talk: “Iron Chemistry with Peptide Ligands”
12Chemical Research Society of India-2005, IACS Kolkata (Poster presentation) Title of the poster: “Bivalent (Fe, Ni, Cu) and Trivalent (Fe, Ni) Complexes of Hexadentate Ligands Providing Pyridyl/Pyrazine-Amide-Thioether Coordination”
13Modern Trends in Inorganic Chemistry-X (2003), IIT Mumbai (Poster presentation) Title of the poster: “Synthesis and Characterization of Low-Spin and Cation Radical Complexes of Ruthenium(III) of a Tridentate Pyridine Bis-Amide Ligand”

Academic Honors & Awards

  • Postdoctoral fellowship from ENS Lyon; funding from Institut National du Cancer (INCa), France.
  • Postdoctoral fellowship from Georg August University, Goettingen; funding from Deutsche Forschungsgemeinschaft (DFG), Germany.
  • International Travel grant from Department of Science & Technology, India for attending and presenting a poster in International Conference on Biological Inorganic chemistry-12 (ICBIC-12), Michigan, USA.
  • Senior Research Fellowship from Council of Scientific and Industrial Research (CSIR) in 2004
  • Junior Research Fellowship from Council of Scientific and Industrial Research (CSIR) in 2002
  • Graduate Aptitude Test for Engineering (GATE) in 2001

Research Scholar

PhD Students:

1. Avinash Lakma (CSIR Fellow), Degree awarde (2017)
2. Sayed Muktar Hossain (Institute Fellow), Degree awarded (2019)
3. Rabindranath Pradhan (CSIR Fellow), Degree awarded (2019)
4. Sagarika Mishra (Institute Fellow), Synopsis given, will submit shortly (in August 2022)
5. Suvam Kumar panda (Institute Fellow), Pursuing 
6. Noopur Deshmukh (Institute Fellow), Pursuing
7. Devi Amrita Ray (CSIR Fellow), Pursuing
8. Bhabani Malakar (Institute Fellow), Pursuing
M. Sc. Project Students Completed (19): 


1. Ms. Kalpana Singh

2. Mr. Sudip Kumar Bera (Best Thesis Award 2016)

3. Mr. Vedprakash

4. Mr. Anupam Kumar Sahoo

5. Mr. Janmendra Tripathy

6. Mr. Supriyo Dutta

7. Mr. Gaurab Kumar Dam

8. Ms. Sharmistha Paul

9. Mr. Aakash Kumar Santara (Best Thesis Award 2019)

10. Ms. Neha Arora

11. Md. Imraj Uddin (Best Thesis Award 2020)

12. Mr. Gaurav K. Yadav

13. Mr. Sukumar Mardanya

14. Mr. Utkarsh Mishra

15. Mr. Manikant Sharma

16. Ms. Juhi Singh

17. Mr. Ankit Rai (Best Thesis Award 2022)

18. Mr. Chirag

19. Ms. Gayatri Prasad

1. "Functional Metallo supramolecular Arrays: High Dimension Metal Ion Grid" Funded by IIT Bhubaneswar. [5 Lakhs; 07/2010-06/2012]


2. "High Dimensional [n x n] Magnetic Grids by Polytopic Ligand Directed Self Assembly" Funded by SERB. [41.08 Lakhs; 03/2012-02/2015]Projects Finished

3. Magnetic Properties of Self Assembled Bivalent, Trivalent and Mixed Valent [2x2] Transition Metal Grids, UGC-DAE CSR, 09/2015-03/2019, 19.38 Lakh.

4. Metal Complexes of Macrocyclic/Acyclic ligands as T1 and ParaCEST- based Contrast Agents for MRI, SERB, CRG/2020/004334 . (Approx-30 Lakhs) Dec. 2020- Dec. 2023.

Professional Experience

* 21 Years of Research Experience * 13 Years of Teaching Experience at IIT BBS *  Expert Committee Member for the Selection of Kendriya Vidyalaya       Teacher (Chemistry) * Member of the Question Paper Setting Committee for National Level    Examinations at UG/PG Level * Regular Reviewer of the International Journals                 (ACS/RSC/Elsevier/Springer Nature Group)                

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