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 Sigalas P. Michael, Professor
Laboratory: Quantum and Computational Chemistry
PHONE:+30 2310 99 78 15
Research Areas
  • Quantum chemical study of molecular structure
  • Computational chemistry
  • Application of new educational technologies in chemistry teaching
  • Development of chemistry educational software and multimedia applications
 Selected Publications
1. N. D. Charistos, A.G. Papadopoulos, M.P. Sigalas 
"Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Field", J. Phys. Chem. A,  DOI:,  10.1021/jp411410r, (2014)
2. M. Lalia-Kantouri, C.D. Papadopoulos, A.G. Hatzidimitriou, M.P. Sigalas, M. Quiros, S. Skoulika 
"Different geometries of novel cobalt(II) compounds with 2-hydroxy-benzophenones and neocuproine: Crystal and molecular structures of [Co(2-hydroxy-benzophenone)2(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br-2]•CH3OH•H2O ", Polyhedron, 52, 1306-1316, (2013)
3. I. Papazoglou, P.J. Cox, A.G. Papadopoulos, M.P. Sigalas, P. Aslanidis 
"Copper(I) complexes of 1,10-phenanthroline and heterocyclic thioamides: an experimental and theoretical (DFT) investigation of the photophysical characteristics ", Dalton Trans., 42, 2755-2764 , (2013)
4. M. Stylianou, V.A. Nikolakis, G.I. Chilas, J.T. Jakusch, T. Vaimakis, T. Kiss, M.P. Sigalas, A.D. Keramidas, T.A. Kabanos 
"Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H(2)bihyat. Water-Assisted Activation of the Mo-VI=O Bond and Reversible Dimerization of cis-[(MoO2)-O-VI(bihyat)] to [(Mo2O4)-O-VI(bihyat)(2)(H2O)(2)] ", Inorg. Chem., 51, 13138-13147 , (2012)
5. S.A.M Dowling-Mitchell, W. Henderson, E.R.T. Tiekink, J. Petrakopoulou, M.P. Sigalas  
"Cis-Trans Ring Substituent Isomerism in Cyano-Substituted Metallathietane-3,3-dioxide Complexes of Platinum(II) and Palladium(II) ", Organomet., 31, 4662-4669 , (2012)
6. A.G. Papadopoulos, N.D. Charistos, M.P. Sigalas 
"Aromaticity Variation in BN Substituted Triphenylene: A Theoretical Study ", AIP Conference Proceedings. ICCMSE 2009, 1504, 1223-1226 , (2012)
7. L.D. Antonoglou, N.D. Charistos, M.P. Sigalas 
"Design, development and implementation of a technology enhanced hybrid course on molecular symmetry: Students' outcomes and attitudes ", Chem. Edu. Res. Pract. Eur., 12, 454-468 , (2011)
8. N. Nenadis and M.P. Sigalas 
"“A DFT study on the radical scavenging potential of selected natural 3',4'-dihydroxy aurones", Food. Res. Int., 44, 114-120, (2011)
9. C.D. Papadopoulos, A.G. Hatzidimitriou, M. Quiros, M.P. Sigalas and M. Lalia-Kantouri 
"Synthesis, characterization, thermal and theoretical studies of cobalt(II) addition compounds with 2-hydroxy-phenones and -diimines. Crystal and molecular structures of [Co(2-hydroxy-benzophenone)2(bipy)]. 2-hydroxy-benzophenoneH and [Co(2-hydroxy-benzophenone)2(phen)]", Polyhedron, 30, 486-496, (2011)
10. A.G. Papadopoulos and M.P. Sigalas 
"Theoretical Study of Hydrogen Bond Interactions of Fluvastatin with iota-Carrageenan and lambda-Carrageenan", J. Mol. Mod., 17, 1669-1678, (2011)
11. J.T. Tsalavoutis and M.P. Sigalas 
"Density Functional Investigation and Bonding Analysis of Pentacoordinated Iron Complexes with Mixed Cyano and Carbonyl Ligands", J. Comput. Chem., 31, 1969-1978, (2010)
12. Miras, HN; Stone, DJ; McInnes, EJL; Raptis, RG; Baran, P; Chilas, GI; Sigalas, MP; Kabanos, TA; Cronin, L  
"Solution identification and solid state characterisation of a heterometallic polyoxometalate {Mo11V7}: [MoVI11VV5)-V- (VIV2O52)(9-SO3)]7-", Chem. Comm.,  , 4703, (2008)
13. Nenadis, N; Sigalas, MP 
"A DFT Study on the Radical Scavenging Activity of Maritimetin and Related Aurones", J. Phys. Chem., A, 112, 12196, (2008)
14. Nikolakis, VA; Tsalavoutis, JT; Stylianou, M; Evgeniou, E; Jakusch, T; Melman, A; Sigalas, MP; Kiss, T; Keramidas, AD; Kabanos, TA  
"Vanadium(V) Compounds with the Bis-(hydroxylamino)-1,3,5-triazine Ligand, Hbihyat: Synthetic, Structural, and Physical Studies of [VO(bihyat] and of the Enhanced Hydrolytic Stability Species cis-[VO(bihyat)]", Inorg. Chem., 47, 11698, (2008)
15. L. D. Antonoglou, N. D. Charistos and M. P. Sigalas 
"Design of Molecular Visualization Educational Software for Chemistry Learning", in “Leading-Edge Educational Technology”, Nova Publishers,  , Chapt 5, (2008)
16. Kapakoglou, NI; Panagiotis, BI; Kazianis, SE; Drouza, C; Manos, MJ; Sigalas, MP; Keramidas, AD; Kabanos, TA 
"Polyoxomolybdenum(V/VI)-sulfite compounds: Synthesis, structural, and physical studies", Inorg. Chem., 46, 6002, (2007)
17. Karavas, E; Georgarakis, E; Sigalas, MP; Avgoustakis, K; Bikiaris, D 
"Investigation of the release mechanism of a sparingly water-soluble drug from solid dispersions in hydrophilic carriers based on physical state of drug, particle size distribution and drug-polymer interactions", Europ. J. Pharm Biopharm., 66, 334, (2007)
18. Teberekidis, VI; Sigalas, MP 
"Theoretical study of hydrogen bond interactions of felodipine with polyvinylpyrrolidone and polyethyleneglycol", J. Mol. Struct.- Theochem, 803, 29, (2007)
19. V. I. eberekidis and . P. Sigalas 
"Ab initio and density functional theory study of the hydrogen bonded pyridine - H2S complex", Rec. Progr.Compu. Sc. and Eng., 7A-B, 1523, (2006)
20. V. I.Teberekidis, M. P. Sigalas 
"Ab initio and density functional study of substituent effects in halogenated cations of alkenes.", Tetrahedron, 61, 3967, (2005)
21. N. D Charistos, C.. sipis and . P. Sigalas 
"3D olecular Symmetry Shockwave: Three-dimensional Perception of Molecular Symmetry", J. Chem. Educ., 82, 1741, (2005)
22. . N. iras, R. G. Raptis, N. Lalioti, . P. Sigalas, P. Baran and . . abanos 
" Novel Series of Vanadium-Sulfite Polyoxometalates: Synthesis, Structural and Physical Studies", Chem.-ur. J., 10, 1, (2005)
23. G. D. Triantafillou, E. L. Tolis, A. Terzis, Y. Deligiannakis, C. P. Raptopoulou, . P. Sigalas and T. A. Kabanos 
"Momeric oxovanadium(IV) compounds of the general formula cis-[VIV(=O)(X)(L-NN)2]+/0 {X = OH-, Cl-, SO42- and L-NN = 2,2 '-Bipyridine (Bipy) or 4,4 '-disubstituted bipy}", Inorg. Chem., 43, 79, (2004)
24. .D. Charistos, C.A. Tsipis, M.P. Sigalas 
"3DNormalModes Shockwave. Three Dimensional Perception of Molecular Normal Modes on the Web", J. Chem. Educ., 81, 1231, (2004)
25. . D. nastasiadou, . P. Sigalas 
"b Initio and Density Functional Study of Four-membered Platina- and Pallada-cycles,(3P)-C2--C2, : C=O, C=N, C=N2+, P(O), SO and SO2 ", J. ol. Struct. – heochem, 681, 191, (2004)
26. C. Drouza, V. Gramlich, . P. Sigalas, I. Pashalidis and . D. eramidas 
"Synthesis, Structure and Solution Dynamics of UO22+ ydroxyketone Compounds, [UO2(ma)2(2O)] and [UO2(dpp)(dpp)2(2O)], [ma=3-hydroxy-2-methyl-4-pyrone, dpp=3-hydroxy-1,2-dimethyl-4(1)-pyridone]", Inorg. Chem., 43, 8336, (2004)
27. V. I. Teberekidis and M. P. Sigalas 
"Structure and stability of halonium cations of cycloalkenes. A theoretical study", Tetrahedron, 59, 4749, (2003)
28. S. Pachini and M. P. Sigalas 
"Ab initio and density functional study of structure and bonding of cage compounds containing boron, phosphorus and group 14 atoms", New J. Chem., 27, 1240, (2003)
29. . Rikkou, . Manos, . Tolis, . P. Sigalas, T. A. Kabanos and A. D. Keramidas 
"NMR and theoretical investigations on the structures and dynamics of octahedral bis(chelate)dichloro V-III compounds isolated by an unusual reduction of non-oxo V-IV species", Inorg. Chem., 42, 4640, (2003)
30. M. Manos, A. L. Tasiopoulos, E. L. Tolis, . Lalioti, J. D. Woolins, A. M. Z. Slawin, . P. Sigalas and T. A. Kabanos 
"A new class of ferromagnetically-coupled mixed valence vanadium(IV/V) polyoxometalates", Chem.-Eur. J., 9, 695, (2003)
31. .D. Charistos, V.I. Teberekidis, C.A. Tsipis, M.P. Sigalas 
"Design and Development of a Multimedia Educational Tool for Interactive Visualization and Three Dimensional Perception of Vibrational Spectra Data of Molecules", Education and Information Technologies, 8, 369, (2003)
32. .D. Charistos, V.I. Teberekidis, C.A. Tsipis, M.P. Sigalas 
"3DNormalModes 1.0", J. Chemical Education, 80, 1222, (2003)
33. M. E. Panselina, M. P. Sigalas, and C. Tzougraki 
"Design and Development of a Bilingual Multimedia Educational Tool for Teaching Chemistry Concepts to Deaf Students in Greek Sign Language", Educ. and Inform. Tech., 7, 225, (2002)
34. E. J. Tolis, M. J. Manos, A. J. Tasiopoulos, C. P. Raptopoulou, A. Terzis, M. P. Sigalas, Y. Deligiannakis, and T. A. Kabanos 
"Monomeric Compounds Containing cis-[M(=O)(OH)]n+ Core", Angewadte Chemie, Int. Ed., 41, 2797, (2002)
35. V. I. Teberekidis and M. P. Sigalas 
"Density Functional Study of Potential Energy Surfaces and Relative Stabilities of Halonium Cations of Ethylene and Cyclopentenes", Tetrahedron, 58, 6171, (2002)
36. C. Drouza, V. Tolis, V. Gramlich, C. Raptopoulou, A. Terzis, M. P. Sigalas, T.A. Kabanos and A. D. Keramidas 
"p-hydroquinone-metal compounds: synthesis and crystal structure of two novel V-V-p-hydroquinonate and V-IV-p-semiquinonate species", Chem. Commun., 23, 2786, (2002)
 Research Projects
1. Theoretical study of the effect of coordination number variation and geometry on catalytic properties of coordination compounds, Franco-Hellenic collaboration program
2. Didactic approach of chemical concepts and phenomena and development of educational software and multimedia applications for their effective teaching
3. Organization and running of training programs “Training in Chemistry of secondary school educators”
EPEAEK I, Ministry of Education
4. Organization and running of the postgraduate program “Didactics of Chemistry and New Educational Technologies”
EPEAEK I-II, Ministry of Education
5. Development of educational software for the high school chemistry
Pedagogic Institute
6. Improvement of the bio-availability of pharmaceutical compounds with micro-encapsulation and solid dispersion methods
EPEAEK , Pythagoras, Ministry of Education
7. Development of New technologies Educational Pachages, Carbon B
8. Development of New technologies Educational Pachages, Chemical Calculations B
9. ducators' Training in Uses of Information and Communication Technologies in Educational Process.
Supervisor for Chemistry, Ministry of Education
10. olVisEdu. Students' visuospatial abilities and comprehension - learning of concepts related to molecular structure. Design, development and evaluation of educational molecular visualization and enhanced reality software for secondary and tertiary education
Ministry of Education, Thalis Program
2012 - 2015
 Co-operation with other institutions
1. Laboratoire de Chimie Theorique, Univ. Paris 11
2. Laboratory of Inorganic Chemistry, Department of Chemistry, University of Ioannina
3. Department of Chemistry, University of Calabria
4. Laboratory of Inorganic Chemistry University of Castilla-La Mancha
5. Laboratory of Inorganic Chemistry, Department of Chemistry, University of Cyprous
6. Laboratory of Organic Chemistry, Department of Chemistry, University of Athens
7. Laboratory of General Chemistry, Department of Chemical Engineering, National Technical University
8. Laboratoire de Chimie Theorique et Physicochimique Moleculaire, Pau, CNRS
9. Laboratory of Inorganic Chemistry of Aristotle University of Thessaloniki
10. Laboratory of Food Chemistry and Technology of Aristotle University of Thessaloniki
11. Laboratory of Organic Chemical Technology of Aristotle University of Thessaloniki
12. Department of Chemistry, University of Waikato
New Zealand
13. Department of methodology, history and theory of science, University of Athens
1. Applied Quantum Chemistry I. Theory and Applications of the HMO Method
Tsips C.A., Sigalas M. P., Pages:150 (2002)
2. Physical methods in Inorganic Chemistry
Sigalas M. P., Bakalbassis E., Pages:100 (2002)
3. Development of Multimedia Applications in Director
M. P. Sigalas and N. D. Charistos, Pages:100 (2003)
4. Quantumchemical geometry optimization and normal modes' calculation (Printed and on-line material)
. P. Sigalas, Pages:75 (2013)
5. Molecular Symmetry and Group Theory (Printed and on-line material)
M. P. Sigalas, Pages:169 (2009)
6. Educational Material for Educators' Training in Uses of New Technologies in Education 5. Science
ulti-author work (Supervisor for Chemistry M.P. Sigalas), Pages:422 (2007)
7. Complete Educational Package: Carbon B (Books, Software)
Multi-author work (Supervisor M.P. Sigalas), Pages:300 (2007)
8. Complete Educational Package: Chemical Calculations B (Books, Software)
Multi-author work (Supervisor M.P. Sigalas), Pages:195 (2007)
  School of Chemistry
Aristotle University of Thessaloniki