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Sonia Ilieva

Professor
University of Sofia
Faculty of Chemistry and Pharmacy



 

 

       

Education
Ph.D., Chemistry, 1993 Sofia University, Sofia, Bulgaria
M.Sc., Chemistry, 1985 Sofia University, Sofia, Bulgaria
1985 - 1987     Chemist
1987 - 1990     Ph. D. student, Faculty of Chemistry, University of Sofia
1990 - 1993     Research Chemist, Faculty of Chemistry, University of Sofia
1993 - 2004     Assistant Professor, Faculty of Chemistry, University of Sofia
2004 - 2011     Associate Professor, Faculty of Chemistry, University of Sofia
2011 - present     Professor, D. Sc. Faculty of Chemistry and Pharmacy, University of Sofia

Research Interests:

  • Application of quantum-chemical calculations for interpretation of intensities in vibrational spectra.
  • IR spectroscopy.
  • Molecular modeling and uantitative structure-activity relationship (QSAR) of biologically active compounds

Lectures: Instrumental methods in chemistry, Methods for analysis and control of medicines, Molecular modeling and QSAR, Ab initio MO calculations.

Fellowships abroad:

University of Salford, UK, Prof. Austin Barnes, 1996

Department of Chemistry, University of Coimbra, Portugal, Prof. Rui Fausto, 2000

Center for Computational Chemistry, University of Georgia, Athens, USA, Prof. Henry F. Schaefer III, 2000

Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, USA, Prof. Keiji Morokuma, 2001

Chemistry Department and Supercomputing Institute, University of Minnesota, Minneapolis, USA, Prof. Don Truhlar, 2005

Publications

C.-H. Wu, B. Galabov, J. I.-C. Wu, S. Ilieva, P. v. R. Schleyer, W. D. Allen “Do π-Conjugative Effects Facilitate SN2 Reactions?” J. Am. Chem. Soc. (2013) accepted.

S. Ilieva, D. Nalbantova, B. Hadjieva, B. Galabov “The Aminolysis of Phenyl N-Phenylcarbamate Proceeds via Isocyanate Intermediate: Theory and Experiment“ J. Org. Chem. 78(13) (2013) 6440.

B. Galabov, V. Nikolova, S. Ilieva “Does the Molecular Electrostatic Potential Reflect the Effects of Substituents in Aromatic Systems?” Chem. Eur. J. 19 (2013) 5149.

B. Galabov, S. Ilieva, G. Koleva, W. D. Allen, H. F. Schaefer III, P. v. R. Schleyer “Structure-Reactivity Relationships for Aromatic Molecules: Electrostatic Potentials at Nuclei and Electrophile Affinity Indices” WIREs Comput. Mol. Sci. 3 (2012) 37, invited review.

D. Cheshmedzhieva, I. Angelova, S. Ilieva, G. Georgiev, B. Galabov “Initiation of Ring-Opening Polymerization of Lactide: The Effect of Metal Alkoxide Catalyst” Theor. Comp. Chem. 995 (2012) 8.

V. Nikolova, D. Cheshmedzhieva, S. Ilieva, B. Galabov “The Nature of Intramolecular Interactions Determining the σConstants for Aromatic Systems” J. Mol. Struct. (Jaan Laane special issue) 31 (2012) 1023.

D. Cheshmedzhieva, V. Dimitrova, B. Hadjieva, S. Ilieva “Rationalizing IR intensities in terms of electronic parameters” J. Mol. Struct. (Boris Galabov special issue) 69 (2012) 1009.

D. Cheshmedzhieva, P. Ivanova, S. Stoyanov, D. Tasheva, I. Ivanov, S. Ilieva “Absorption and fluorescence properties of novel 1,8-naphtalimide hydrazones for enzyme activity localization” Phys. Chem. Chem. Phys. 13 (2011) 18530.

D. Nalbantova, D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, B. Galabov “Reactivity of phenyl N-phenylcarbamates in the alkaline hydrolysis reaction” J. Phys. Org. Chem. 24 (2011) 1166.

D. Cheshmedzhieva, S. Ilieva, B. Galabov “Computational evaluation of σI and σR substituent constants“ J. Mol. Struct. 976 (2010) 427.

S. Ilieva, D.Cheshmedzhieva, D.Tasheva “The Origin of Diastereoselectivity in the Michael Addition Reaction: a Computational Study of the Interaction Between CH-acidic Schiff Base and α,β-Unsaturated Ketones“Tetrahedron 66 (2010) 5168.

O. Tishchenko, S. Ilieva, D. G. Truhlar “Energetics of reaction pathways for reactions of ethenol with the hydroxyl radical: The importance of internal hydrogen bonding at the transition state“ J. Chem. Phys. 133, (2010) 021102

D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, B. Galabov “The mechanism of alkaline hydrolysis of amides: a comparative computational and experimental study of the hydrolysis of N-methylacetamide, N-methylbenzamide, and acetanilide“ J. Phys. Org. Chem. 22 (2009) 619.

D. Cheshmedzhieva, S. Ilieva, B. Hadjieva, T. Trayanova, B. Galabov “Reactivity of acetanilides in the alkaline hydrolysis reaction: theory vs. experiment“ Mol. Phys. 107 (2009) 1187.

D. Zhiryakova, I. Ivanov, S. Ilieva, M. Guncheva, B. Galunsky, N. Stambolieva “Do N-terminal nucleophile hydrolases indeed have a single amino acid catalytic center?“FEBS Journal, 276 (2009) 2589.

S. Ilieva, Y. Atanasov, B. Galabov “Mechanism of the aminolysis of phenyl acetate: a computational study“ Bulg. Chem. Commun. 40 (2008) 401.

B. Galabov, S. Ilieva, B. Hadjieva, Y Atanasov, H. F. Schaefer III “Predicting Reactivities of Organic Molecules. Theoretical and Experimental Studies on the Aminolysis of Phenyl Acetates“ J. Phys. Chem. A 112 (2008) 6700.

M. Atanasova, S. Ilieva, B. Galabov “QSAR Analysis of 1,4-Dihydro-4-oxo-1-(2-thiazolyl)- naphthyridines with Anticancer Activity.” S Eur. J. Med. Chem. 42 (2007) 1184.

B. Galabov, S. Ilieva, H. F. Schaefer III “An efficient computational approach for the evaluation of substituent constants“ J. Org. Chem. 71 (2006) 6382.

B. Hadjieva, S. Ilieva, D. Cheshmedzhieva, B. Galabov “Conformation of some biologically active aromatic ureas“ Spectrochim. Acta A, 61 (2005) 1321.

B. Galabov, Y. Atanasov, S. Ilieva, H. F. Schaefer III “Mechanism of the aminolysis of methyl benzoate: a computational study“ J. Phys. Chem. A 109 (2005) 11470.

V. Dimitrova, S. Ilieva, B. Galabov “A quantitative characterization of the reactivity of substituted phenols for the proton transfer reaction“ Bulg. Chem. Commun. 37 (2005) 356.

B. Galabov, D. Cheshmedzhieva, S. Ilieva, B. Hadjieva “Computational study of the reactivity of N-phenylacetamides in the alkaline hydrolysis reaction“ J. Phys. Chem. A 108 (2004) 11457.

B. Hadjieva, S. Ilieva, M. Vatzova “Comparative study of the intramolecular hydrogen bonding and conformation of o-hydroxy and o-alkoxy aromatic ureas and thioureas“ Asian J. Spectrosc. 8 (2004) 1.

M. Dimitrova, S. Ilieva, B. Galabov “Reactivity descriptors for the hydrogen bonding ability of pyridine bases“ SAR QSAR Environ. Res. 15 (2004) 311.

S. Slavov, M. Djunlieva, S. Ilieva, B. Galabov “A QSAR analysis of the substituent effect on the binding affinity of derivatives of trimetazidine“ Drug Research 54 (2004) 9.

D. Cheshmedzhieva, S. Ilieva, B. Galabov “Computational study of the alkaline hydrolysis of acetanilide“ THEOCHEM, 681 (2004) 105.

S. Ilieva, B. Galabov, D. Musaev, K. Morokuma, H. F. Schaefer III “Computational study of the aminolysis of esters“ J. Org. Chem. 68 (2003) 1496.

S. Ilieva, B. Galabov, D. G. Musaev, K. Morokuma “Computational study of the aminolysis of 2-benzoxazolinone“ J. Org. Chem. 68 (2003) 3406.

B. Galabov, P. Bobadova-Parvanova, S. Ilieva, V. Dimitrova “The electrostatic potential at atomic sites as reactivity index in hydrogen bond formation“ THEOCHEM 630 (2003) 101.

S. Ilieva, Y. Atanassov, V. Kalcheva and B. Galabov “Computational study of the catalysed aminolysis of 2-benzoxazolinone“ THEOCHEM 633 (2003) 49.

B. Galabov, S. Ilieva, B. Hadjieva and E. Dinchova “On the origin of higher rotational barriers in thioamides than in amides. Remote substituent effects on the conformational stability of the thioamide group in thioacetanilides“ J. Phys. Chem. A 107 (2003) 5854.

V. Dimitrova, S. Ilieva, B. Galabov “Electrostatic potential at nuclei as a reactivity index in hydrogen bond formation. Complexes of ammonia with C-H, N-H and O-H proton donor molecules“ THEOCHEM 637 (2003) 73.

M. Dimitrova, S. Ilieva, B. Galabov “Reactivity descriptors for the hydrogen bonding ability of aliphatic alcohols“ J. Mol. Struct. 657 (2003) 317.

S. Ilieva, B. Hadjieva, B. Galabov “Theory supplemented by experiment. Electronic effects on the rotational stability of amide group in p-substituted acetanilides“ J. Org. Chem. 67 (17) (2002) 6210.

V. Dimitrova, S. Ilieva, B. Galabov “Electrostatic potential at atomic sites as reactivity index for hydrogen bonding. Complexes of monosubstituted acetylenes and ammonia“ J. Phys. Chem. А 106 (48) (2002) 11801.

S. Ilieva, B. Galabov, T. Dudev, T. K. Gounev, J. R. Durig “Effective bond charges from infrared intensities in CH4, SiH4, GeH4 and SnH4”, J. Mol. Struct. 395 (2001) 565.

I. D. Reva, S. V. Ilieva, R. Fausto “Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study“ Phys. Chem. Chem. Phys. 3 (2001) 4235.

S. Ilieva, B. Hadjieva, B. Galabov “Ab initio molecular orbital study of the conformation of amide group: o-methylformanilide“ J. Mol. Struct. 476 (1999) 151.

S. Ilieva, B. Hadjieva, B. Galabov, “Ab initio molecular orbital and infrared spectroscopic study of the conformation of secondary amides: derivatives of formanilide, acetanilide and benzylamides“ J. Mol. Struct. 508 (1999) 73.

B. Galabov, T. Dudev, S. Ilieva, J. R. Durig “The creation of intensity theory in vibrational spectroscopy: key role of ab initio quantum mechanical calculations“ Int. J. Quantum Chem. 70 (1998) 331.

B. Galabov, S. Ilieva, B. Hadjieva, T. Dudev “N‑H stretching frequencies and conformation of substituted ureas: an ab initio MO study” J. Mol. Struct. 407 (1997) 47.

B. Galabov, T. Dudev, S. Ilieva “Effective bond charges from infrared and Raman intensities” J. Mol. Struct. 408/409 (1997) 57.

B. Hadjieva, S. Ilieva, S. Bozionelos, B. Galabov “N‑H stretching frequencies and conformational isomerism in some disubstituted urea derivatives.“ Asian J. Spectrosc. 1 (1997) 83.

S. Ilieva, B. Galabov “An MO study of the transferability of infrared intensity parameters in alkyl ethers“ J. Mol. Struct., 198 (1989) 175.

S. Ilieva, M. Krusteva, T. Dudev, B. Galabov, T. Gounev, J. R. Durig “Effective bond charges from infrared intensities: ab initio calculations“ J. Mol. Struct. 377 (1996) 75.

B. Galabov, T. Dudev, S. Ilieva “Effective bond charges from experimental IR intensities“ Spectrochim. Acta 51A (1995) 739.

B. Galabov, T. Dudev, S. Ilieva “Interpretation of vibrational absorption intensities: effective bond charges from rotation-free atomic polar tensors“ Spectrochim. Acta 49A (1993) 373.

B. Galabov, S. Ilieva, T. Dudev, H.V. Phan, J. R. Durig “Interpretation and prediction of vibrational absorption intensities: methylethyl ether and diethyl ether“ Spectrochim. Acta 49A (1993) 2093.

B. Galabov, S. Ilieva “Predicted infrared spectrum of polyethylene“ J. Mol. Liq. 53 (1992) 55.

B. Galabov, S. Ilieva, T. Gounev, D. Steele “Analysis of vibrational absorption intensities in benzene and methyl benzenes“ J. Mol. Struct. 273 (1992) 85.

S. Ilieva, T. Dudev, B. Galabov “Relationship between atomic polar tensors and bond polar parameters formulations of infrared intensities“ Croat. Chem. Acta 63 (1990) 143.

S. Ilieva, B. Galabov, J. R. Durig “Bond polar parameters for dimethyl ether from ab initio MO calculations and experimental infrared intensities“ J. Mol. Struct. 200 (1989) 543.

 

 

Laboratory of Computational Chemistry and Spectroscopy