Dr. Ranjan Kumar Singh

Professor
Ph D (BHU)
Contact Information:
Tel. +91 542 6701569 Fax:+91 542 2368174
Email Id:ranjanksingh65@rediffmail.com

 
 
Academic Qualifications:
 
S. No.DegreeInstitutionYear
1.B.Sc.Patna University1983
2.M.Sc.Patna University1986
3.Ph. D.Banaras Hindu University1994
 
Brief writeup on area of specialization/awards/achievements:
 

The area of research is the application of Raman spectroscopy and density functional theory to study the liquid crystalline materials, strongly interacting liquid mixtures and biological systems.
(a) Study of phase transitions and molecular dynamics of liquid crystalline phase transitions: The transitions are characterized by measuring temperature dependent Raman spectra. Phase transitions in liquid crystals are associated with large scale changes in molecular structure and orientation. These changes essentially induce changes in the Raman spectra. The transitions are depicted as change in intensity, wavenumber, appearance and disappearance of peaks and change in linewidth of some marker bands. Since the origin of Raman spectra lies in atomic displacements during the vibration, useful information about the molecular dynamics can be obtained.
(b) Study of the nature of hydrogen bonds: We prepare mixtures of various hydrogen bonding chemicals in liquid form at various concentrations and do Raman study and DFT calculations to study the nature of hydrogen bonds.
(c) SERS study of biological systems: We prepare the nano colloidals of various shape and size of coinage metals and use them for SERS enhancement for biological systems.
Awards:
* Alexander von Humboldt Fellow.

 
Projects Undertaken as PI/ Co PI:
 

S. No.Name of the Project DurationSource of FundingAmount of Funding (Rs)
1. Vibrational (Raman and IR spectroscopic IR) study of biologically important associated systems. 2006- 2009UGC, New Delhi6.17 lakh
2Surface enhanced Raman scattering using metal colloids nanoparticles: Application to Raman studies of single molecule 2008-2011DST, New Delhi 35.56 lakh
3Spectroscopic study of molecular dynamics at phase transition of thermotropic liquid crystals2008- 2011 CSIR, New Delhi15.22 Lakh

 
Any additional information:
 

List of 10 major Publications:

  1. Vikram K., Srivastava S.K., Ojha A.K., Schlücker S., Kiefer W. and Singh Ranjan K., Dynamics and mechanism of the Crystal II?smecticG phase transition in TB7A by a temperature-dependent micro-Raman study and DFT calculations; J. Raman Spectrosc. 40, 881-886 (2009).
  2. Mishra S., Singh Ranjan. K., Ojha A.K., Investigation on bonding interaction of benzonitrile with silver nano particles probed by surface enhanced Raman scattering and quantum chemical calculations, Chem. Phys., 355, 14-20 (2009).
  3. Vikram K., Tarcea Nicolae., Srivastava S.K., B.P. Asthana, J. Popp and Ranjan K. Singh*, Crystal? nematic phase transition in liquid crystalline system 1-Isothiocyanato-4-(trans-4-propylcyclohexyl) benzene (3CHBT) probed by temperature dependent micro-Raman study and DFT calculations, J.Raman Spectrosc. . 41, 1067-1075 (2010).
  4. Vikram K., Tarcea N., Popp J. and Singh Ranjan K. , Temperature dependent Raman study of the Smectic (S)? Nematic (N) phase transition and vibrational analysis using DFT of liquid crystalline system 4-decloxy benzoic acid (4DBA) Applied Spectroscopy, 64(2), 187-194 (2010).
  5. K. Vikram, P.R. Alapati and Ranjan K. Singh, Temperature dependent Raman study of SB ? SC transition in liquid crystalline compound N-(4-n-pentyloxybenzylidene)-4'-heptylaniline (5O.7) Spectrochim Acta. 75(5), 1480-1485 (2010).
  6. Singh D.K., Mishra S., Ojha A.K., Srivastava S.K., Schlücker S., Asthana B.P., Popp J. and Singh Ranjan K., Hydrogen bonding in different pyrimidine- methanol clusters probed by polarized Raman spectroscopy and DFT calculations, J. Raman Spectrosc. 2011, 42, 667–675.
  7. Singh D.K., Srivastava S.K., Schlücker S., Singh Ranjan.K., Asthana B.P., Self-association and hydrogen bonding of propionaldehyde in binary mixtures with water and methanol investigated by concentration dependent polarized Raman study and DFT calculations. J. Raman Spectrosc. 42 851–858 (2011).
  8. Mishra S., Meyer T., Popp . and Singh Ranjan K., Precise Analysis of Small Wavenumber Shifts of Pyridine on Dilution with H2O and D2O Using RDS Technique. Z. Phys. Chem, 225 673-689 (2011).
  9. Singh D., Popp J. and Singh Ranjan K., Fourier Transform Raman and DFT Study of Blue Shift C-H Stretching Vibration of Diazinees on Hydrogen Bond Formation, , Z. Phys. Chem, 225 785-798 (2011).
  10. Structural and optical properties of sol-gel derived nanocrystalline Fe-doped ZnO Shiv Kumar, Subhrajit Mukherjee, Ranjan Kr. Singh, S. Chatterjee, and A. K. Ghosh J. Appl. Phys. 110, 103508 (2011).
Full List of Publications:
  1. Singh Ranjan K., Asthana B.P. and Bist H.D.: Study of the dynamics of phase transition in NH4SCN by a precise Raman linewidth and frequency shift measurement. Chem. Phys. Lett. 209, 390-396 (1993).
  2. Singh Ranjan K., Singh S.N., Asthana B.P., and Pathak C.M.: Deconvolution of Lorentzian Raman linewidth – method of polynomial fitting and extrapolation. J. Raman Spectrosc. 25, 423-428 (1994).
  3. Singh Ranjan K., Asthana B.P., Verma A.L. and Pathak C.M.: Raman study of the concentration dependence of the frequency shift and linewidth changes in a 3Clp + methanol system. Chem. Phys. Lett. 278, 35-40 (1997).
  4. Singh Ranjan K. and Verma A.L.: Estimation of slit width from the observed Raman spectra. J. Raman Spectrosc. 28, 301-304 (1997).
  5. Dash S.K., Singh Ranjan K., Alapati P.R. and Verma A.L.: Dynamics of phase transition in liquid crystalline compouund TBDA probed by Raman spectroscopy: J. Phys.: Condens Matter 9, 7809-7815 (1997).
  6. Singh Ranjan K., Asthana B.P., Singh P.R., Chakraborty T and Verma A.L.: Raman study of the vibrational relaxation of the ? (C ? N) stretching mode of acrylonitrile in binary liquid mixtuures with hydrogen donor solvents. J. Raman Spectrosc. 29, 561-566 (1998).
  7. Bhriguvansh P., Singh Ranjan K., Asthana B.P., and Verma A.L.,: Estimation of Lorentzian linewidth, fraction Lorentzian character and spectral slit width using different Raman lineshape parameters: Asian J. Phys. (Raman special issue edited by W. Kiefer) 7, 323-330 (1998).
  8. Dash S.K., Singh Ranjan K., Alapati P.R. and Verma A.L.: Laser Raman study of terepthalydene-bis-p-n-decylaniline (TBDA). Mol. Cryst. Liq. Cryst. 319, 147-158 (1998).
  9. Singh Ranjan K., Bhriguvansh P., Asthana B.P., and Verma A.L.,: Raman study of vibrational dephasing in hydrogen bonded binary and ternary complexes of C6H5Cl and methanol. Chem. Phys. Lett. 296, 611-618 (1998).
  10. Dash S.K., Singh Ranjan K., Alapati P.R. and Verma A.L.: Laser Raman study on thermotropic liquid crystalline compounds. Liq. Cryst. 25, 459-465 (1998).
  11. Dash S.K., Singh Ranjan K., Asthana B.P., Alapati P.R. and Verma A.L.: A new phase transition in super cooled TBDA probed by low temperature Raman study. J. Raman Spectrosc. 30, 81-84 (1999).
  12. Dash S.K., Alapati P.R., Singh Ranjan K. and Verma A.L.: Dynamics of low temperature phase transition in liquid crystal TB10A probed by Raman spectroscopy. Liq. Cryst. 26, 1479-1484 (1999).
  13. Singh Ranjan K., Singh S.C., Dash S.K., Asthana B.P. and Verma A.L.: Study of high temperature Raman sensitive mode of TBDA at solid – SmG transition. J. Raman Spectrosc. 31, 543-546 (2000).
  14. Dash S. K., Singh Ranjan K., Alapati P. R., Verma A. L.: Pre-resonance Raman studies of some mesogens-TB4A, TB7A and TB10A. Liq. Cryst. 27, 269-276 (2000).
  15. Schlücker S., Singh Ranjan K., Asthana B.P., Popp J. and Kiefer W.: Hydrogen bonded pyridine-water complexes studied by density functional theory and Raman spectroscopy. J. Phys. Chem. A, 105, 9983-9989 (2001).
  16. Schlücker S., Heid M., Singh Ranjan. K., Asthana B.P., Popp J. and Kiefer W.: Vibrational dynamics in hydrogen bonded (pyridine + water) complexes studied by spectrally resolved femtosecond CARS. Z. Phys. Chem. 216, 267-178 (2002).
  17. Singh Ranjan. K., Schlücker S., Asthana B.P. and Kiefer W.: Raman investigation of low temperature phase transition in liquid crystalline system: terepthalidine-bis-heptylaniline (TB7A). J. Raman Spectrosc. 33, 720-725 (2002).
  18. Singh Ranjan. K., Schlücker S., Asthana B.P. and Kiefer W.: Crystal-Smectic G transformation investigated by temperature-dependent Raman study. Applied Spectosc. 57, 1288-1294 (2003).
  19. Raguvansh P, Srivastava S. K., Singh Ranjan. K., Asthana B.P. and Kiefer W.: Hydrogen bonding and self-association investigated in the binary mixture (C6H5C=N + CH3OH) via concentration dependent Raman study of the C=N stretching mode of benzonitrile (C6H5C=N) and ab-initio calculations. Phys. Chem. Chem. Phys., 6, 531-536 (2004).
  20. Singh Ranjan K., Srivastava S. K., Ojha A.K., Arvind U. and Asthana B.P: Study of vibrational dephasing of (C-Cl) stretching mode of 2Cl-pyridine and 3Cl- pyridine in methanol environment by polarized Raman study and DFT calculations. J. Raman Spectrosc. 37, 76-84 (2006).
  21. Srivastava S. K., Ojha A.K., Sinha P.K., Asthana B.P and Singh Ranjan K.: Probing self associated structures of the solute molecule, acrylonitrile, the solvent molecule 2Cl-phenol and their binary complexes via concentration dependent Raman study and DFT calculation. J. Raman Spectrosc. 37, 68-75 (2006).
  22. Ojha A.K., Srivastava S. K., Singh Ranjan K. and Asthana B.P: A new approach to explain concentration dependent changes in linewidth and frequncy shifts in associated mixtures. J. Phys. Chem A. 110, 9849-9853 (2006).
  23. Ojha Animesh K., Singha, A., Dasgupta, S., Singh, Ranjan K., and Roy, A. pH dependent surface enhanced Raman study of Phe + Ag Complex and DFT calculations for spectral analysis. Chem. Phys. Lett. 431, 121-126 (2006).
  24. Ojha A.K., Srivastava S. K., Singh Ranjan K. and Asthana B.P: Concentration dependent Raman study of non-coincidence splitting in NH2 bending and C=O stretching modes of HCONH2 in binary mixture (HCONH2+CH3OH). J. Raman Spectrosc. 38, 159-165 (2007).
  25. Ojha A. K., Srivastava S. K., Singh Ranjan K., Kiefer W. and Asthana B. P.,Complex formation of HCONH2 in CH3¬OH environment and investigation of linewidth change of ?(C=O) stretching and NH2 bending modes. Vibrational Spectroscopy 43, 177-183 (2007).
  26. Schlu1cker S., Koster J., Singh Ranjan K. and Asthana B. P. Hydrogen-Bonding between Pyrimidine and Water: A Vibrational Spectroscopic Analysis, J. Phys. Chem. A 111, 5185-5191(2007).
  27. Ojha A.K. ,Srivastava S.K., Schlucker S., Kiefer W., Asthana B.P and Singh Ranjan K,: Improper hydrogen Bonding Motional Narrowing in in binary mixtures of 2- and 3-bromopyridine in methanol probed by polarized polarized Raman and DFT calculations. J. Raman Spectrosc. 38, 1656-1664(2007).
  28. Mishra, S., Ojha, A.K., Singh D., Prasad R.R., Srivastava, S.K., and Singh, Ranjan K.: Concentration dependent surface enhanced Raman scattering and molecular dynamic study of dimethyl formamide. J. Raman Spectrosc. 38, 1454-1460 (2007).
  29. Singh, D., Srivastava, S.K., Ojha, A.K., Asthana, B. P., and Singh, Ranjan K. : DFT study of hydrogen bond bridging mode of pyridine and diazenes in water environment: J. Mol. Struct. Theochem 819, 88-94 (2007).
  30. Ojha Animesh K.and Singh Ranjan K., Optical Absorption Spectra of Copper, Silver and Gold Nanorods as a Function of Aspect Ratios and Medium Dielectric Constant: A Theoretical Study: J. Comp., 5, 1-8, (2008).
  31. Singh, D., Ojha, A.K., Kiefer W. and Ranjan K. Singh, Raman and DFT study of static, dynamic interactions and isotope effect in pyridazine+H2O/D2O systems , Vib. Spectrosc., 49, 242-250 (2008).
  32. Singh, D., Vikram K., Singh D.K., Kiefer W. and Singh, Ranjan K., Raman study of hydrogen-bonded 2- and 3-chloropyridine with methanol, J. Raman Spectrosc., 39,1423-1432 (2008).
  33. Vikram K., Srivastava S.K., Ojha A.K., Schlucker S., Kiefer W. and Singh Ranjan K., Dynamics and mechanism of the Crystal II?smecticG phase transition in TB7A by a temperature-dependent micro-Raman study and DFT calculations; J. Raman Spectrosc. 40, 881-886 (2009).
  34. Mishra S., Singh Ranjan. K., Ojha A.K., Investigation on bonding interaction of benzonitrile with silver nano particles probed by surface enhanced Raman scattering and quantum chemical calculations, Chem. Phys., 355, 14-20 (2009).
  35. Vikram K., Tarcea Nicolae., Srivastava S.K., B.P. Asthana, J. Popp and Ranjan K. Singh*, Crystal? nematic phase transition in liquid crystalline system 1-Isothiocyanato-4-(trans-4-propylcyclohexyl) benzene (3CHBT) probed by temperature dependent micro-Raman study and DFT calculations, J.Raman Spectrosc. . 41, 1067-1075 (2010).
  36. Vikram K., Tarcea N., Popp J. and Singh Ranjan K. , Temperature dependent Raman study of the Smectic (S)? Nematic (N) phase transition and vibrational analysis using DFT of liquid crystalline system 4-decloxy benzoic acid (4DBA) Applied Spectroscopy, 64(2), 187-194 (2010).
  37. Mishra S., Singh D.K., Ojha A.K., Asthana B.P, Singh Ranjan K., Raman and DFT study of polar ?(C=N) and non-polar ?(C-H) modes of acetonitrile in aqueous Ag nano-colloids, Spectrochim Acta. Spectrochim. Acta A 77, 559-565 (2010).
  38. K. Vikram, P.R. Alapati and Ranjan K. Singh, Temperature dependent Raman study of SB ? SC transition in liquid crystalline compound N-(4-n-pentyloxybenzylidene)-4'-heptylaniline (5O.7) Spectrochim Acta. 75(5), 1480-1485 (2010).
  39. Singh D.K., Mishra S., Ojha A.K., Srivastava S.K., Schlücker S., Asthana B.P., Popp J. and Singh Ranjan K. *, Hydrogen bonding in different pyrimidine- methanol clusters probed by polarized Raman spectroscopy and DFT calculations, J. Raman Spectrosc. 2011, 42, 667–675.
  40. Singh D.K., Srivastava S.K., Schlücker S., Singh Ranjan.K., Asthana B.P., Self-association and hydrogen bonding of propionaldehyde in binary mixtures with water and methanol investigated by concentration dependent polarized Raman study and DFT calculations. J. Raman Spectrosc. 42 851–858 (2011).
  41. Singh D.K., Srivastava S.K., Raghuvansh P., Singh Ranjan K., Asthana B.P., Inter–molecular hydrogen bonding in the binary mixture [(C2H5)2C=O + CH3OH] probed by polarized Raman measurements and DFT calculations. Vibr. Spectrosc. 56 34–41 (2011).
  42. Mishra S., Meyer T., Popp . and Singh Ranjan K., Precise Analysis of Small Wavenumber Shifts of Pyridine on Dilution with H2O and D2O Using RDS Technique. Z. Phys. Chem, 225 673-689 (2011).
  43. Singh D., Popp J. and Singh Ranjan K., Fourier Transform Raman and DFT Study of Blue Shift C-H Stretching Vibration of Diazinees on Hydrogen Bond Formation, , Z. Phys. Chem, 225 785-798 (2011).
  44. Saini G.S.S., Dogra S.D., Sharma K., Singh S., Tripathi S.K., Sathe V. and Singh Ranjan K., Experimental and density functional theoretical study of the effects of chemical vapours on the vibrational spectra of nickel phthalocyanine thin films, Vibrational Spectroscopy 57 (2011) 61–71.
  45. Structural and optical properties of sol-gel derived nanocrystalline Fe-doped ZnO Shiv Kumar, Subhrajit Mukherjee, Ranjan Kr. Singh, S. Chatterjee, and A. K. Ghosh J. Appl. Phys. 110, 103508 (2011).
  46. Vikram K., Mishra S., Srivastava S.K., Singh Ranjan K. Low Temperature Raman and DFT study of Creatinine, J. Mol. Struct. 1012 (2012) 141–150
  47. Singh A. Gangopadhyay D., Popp J. and Singh Ranjan K. Effect of deuteration on hydrogen bonding: A comparative concentration dependent Raman and DFT study of pyridine in CH3OH and CD3OD and pyrimidine in H2O and D2O, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 99 (2012) 136–143.
  48. Mishra S., Gangopadhyay D., Singh A., Popp J. and Singh Ranjan K., Effect of methylation on wavenumber shift of ring breathing mode of pyrimidine in the solution of H2O and D2O by employing Raman Difference Spectroscopic technique and DFT approach, Vibrational Spectroscopy Vib. Spectrosc. (Accepted).
  49. Singh V.P., Singh R.K., Das D. and Rath C. Defects in Zn1-x-yCoxMgyO Nanoparticles: Probed by XRD, RAMAN and PAS Techniques, Materials Science in Semiconductor Processing Accepted for Publication)
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