Dr Miros law Jab loński Zak lad Chemii Kwantowej Wydzia l Chemii Uniwersytet Miko laja Kopernika w Toruniu ul. Gagarina 7, 87-100 Toruń, Polska CURRICULUM VITAE I. Dane osobowe: Nazwisko: Imiȩ: Adres (prac.) Data urodzenia: II. Edukacja: Jab loński Miros law Zak lad Chemii Kwantowej, Wydzia l Chemii Uniwersytet Miko laja Kopernika, ul. Gagarina 7, 87-100 Toruń, Polska tel. +48 56 611 4695 E-mail: teojab@chem.uni.torun.pl web: http://www.chem.uni.torun.pl/zchk/ 07.02.1976, Toruń 1995 2000 Studia magisterskie, Wydzia l Chemii, Uniwersytet Miko laja Kopernika, Toruń, Polska III. Stopnie akademickie i tytu ly: 2000 Magister chemii, Zak lad Chemii Kwantowej, Wydzia l Chemii, Uniwersytet Miko laja Kopernika, Toruń, Polska (promotor: prof. A. J. Sadlej, recenzent: prof. P. Malinowski) Enaminoketony: teoretyczne badania dynamiki wewn atrzmolekularnej w uk ladzie modelowym 3-aminoakroleiny 2007 Doktor nauk chemicznych, Zak lad Chemii Kwantowej, Wydzia l Chemii, Uniwersytet Miko laja Kopernika, Toruń, Polska (promotor: prof. A. J. Sadlej, recenzenci: prof. S.J. Grabowski, prof. A. Koll) W laściwe i niew laściwe wi azania wodorowe IV. Zatrudnienie: 2000 2011: Asystent, Zak lad Chemii Kwantowej, Wydzia l Chemii, Uniwersytet Miko laja Kopernika, Toruń, Polska 2011 : Adiunkt, Zak lad Chemii Kwantowej, Wydzia l Chemii, Uniwersytet Miko laja Kopernika, Toruń, Polska V. Tematyka badań naukowych: oddzia lywania wewn atrz- i miȩdzymolekularne metody oszacowań wartości energii wewn atrzmolekularnych wi azań wodorowych efekty steryczne i ciśnieniowe VI. Konferencje i Szko ly: 1999 X Ogólnopolska Szko la Chemii, 26.04. - 01.05., Karpacz, Polska - komunikat Od zasady nieoznaczoności Heisenberga do kota Schrödingera 2000 XLV Zjazd PTChem i SITPChem, 10-15.09., Lódź, Polska - poster Teoretyczne studium enaminoketonów na przyk ladzie 3-aminoakroleiny 1
2001 European Summerschool in Quantum Chemistry, 19.08. - 1.09., Tjørnarp, Szwecja Summer School in Molecular Physics and Quantum Chemistry, 9-14.09., Oxford, Wielka Brytania Austrian-Czech-Polish-Slovak Symposium on Quantum Chemistry, 27-30.09., Ustroń - Jaszowiec, Polska - poster Quantum Chemistry of the Excited State: Theoretical Study of the Electronic Spectrum of Phenylacetylene 2002 Final Evaluation Workshop of the COST D9 Action, Advanced Computational Chemistry of Increasingly Complex Systems, 24-26.05., Smolenice, S lowacja - poster Quantum Chemistry of the Excited State: Theoretical Study of the Electronic Spectrum of Phenylacetylene 1st Central European Symposium on Theoretical Chemistry, 28-30.10., Zwettl, Austria - poster Conformation dependence of the excitation spectrum and electro-optical properties of 3-aminoacroleine 2003 XLVI Zjazd PTChem i SITPChem, 15-18.09., Lublin, Polska - komunikat Niew laściwe, przesuniȩte ku wyższym czȩstościom wi azanie wodorowe typu C-H N. 2nd Central European Symposium on Theoretical Chemistry, 25-28.09., Nove Hrady, Czechy - komunikat Improper, blue-shifting hydrogen bonds of the C-H...N type 2004 XLVII Zjazd PTChem i SITPChem, 12-17.09., Wroc law, Polska - poster Theoretical prediction of the Raman activity increase upon HCN HCF 3 complex formation 3td Central European Symposium on Theoretical Chemistry, 30.09-3.10., Tihany, Wȩgry - komunikat Raman intensity increase as the indicator of the improper, blue-shifted hydrogen-bond formation 2005 Central European School on Physical Organic Chemistry: Structural Organic Chemistry, 19-24.06., Czocha, Polska - komunikat Graduate Student Research School Hydrogen Bonding and Hydrogen Transfer, 29.08., Roskilde, Dania - komunikat XVIth International Conference on Horizons in Hydrogen Bond Research, 30.08-4.09., Roskilde, Dania - poster 11th International Conference on the Application of Density Functional Theory in Chemistry and Physics, 11-15.09., Genewa, Szwajcaria - poster Central European Symposium on Theoretical Chemistry, 25-28.09., Sachticky, S lowacja -wyk lad 2006 6th European Conference on Computational Chemistry, 3-7.09., Tale, S lowacja - komunikat Estimates of the energy of intramolecular hydrogen bond 2
2007 12th International Conference on the Applications of Density Functional Theory in Physics and Chemistry, 26-30.08., Amsterdam, Holandia - poster Blue-shifting intramolecular C-H O(S) contacts in sterically strained systems Symposium on Advanced Methods of Quantum Chemistry and Physics, 2-6.09., Toruń, Polska 6th Central European Symposium on Theoretical Chemistry, 23-26.09., Litschau, Austria - poster Blue-shifting intramolecular C-H O(S) contacts in sterically strained systems 2008 4th MOLCAS Workshop - Training Workshop on Computational Quantum Chemistry, 9-13.06., Bojnice, S lowacja Current Trends in Theoretical Chemistry V, 6-10.07., Kraków, Polska 19th IUPAC Conference on Physical Organic Chemistry, 13-18.07., Santiago de Compostela, Hiszpania 2010 Quantum Chemical Winter School, Response Properties of Molecular Materials, 25-29.01, Chamonix Mont- Blanc, Francja Central European School on Physical Organic Chemistry: Recognition, 8-12.06, Przesieka, Polska - wyk lad Charge-inverted hydrogen bonds Intermolecular Interactions and Molecular IX Girona Seminar: Electron Density, Density Matrices, and Density Functional Theory, 5-8.07, Girona, Hiszpania Computational Chemistry, 29.08-3.09.2010, Les Diablerets, Szwajcaria - poster Inter- and intramolecular charge-inverted hydrogen bonds 9-th Central European Symposium on Theoretical Chemistry, 12-15.09, Nový Smokovec, S lowacja 2011 Central European School on Physical Organic Chemistry: The Lewis and Brönsted Acid-base and Related Interactions, 6-10.06, Przesieka, Polska - wyk lad Divalent carbon atom as the proton acceptor in hydrogen bonding Introduction to Gaussian: Theory and Practice, 11-15.07, Santiago de Compostela, Hiszpania XIX. International Conference on Horizons in Hydrogen Bond Research, 12-17.09, Getynga, Niemcy - poster Divalent carbon atom as the proton acceptor in hydrogen bonding 10-th Central European Symposium on Theoretical Chemistry, 25-28.09, Toruń, Polska 2012 Central European School on Physical Organic Chemistry: Self-Organization and Interactions Behind, 7-11.05, Przesieka, Polska - komunikat Theoretical insight into the charge-inverted hydrogen bond Modeling and Design of Molecular Materials, 10-14.09, Wroc law, Polska - komunikat Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond 2013 Electron Distribution & Chemical Bonding, Pushing the Limits of Experimental and Theoretical Charge and Spin Density Studies, 2-7.06, Les Diablerets, Szwajcaria, - komunikat Current Trends in Theoretical Chemistry VI, 1-5.09, Kraków, Polska - komunikat 3
20th International Conference on Horizons in Hydrogen Bond Research, 15-20.09, Antwerpia, Belgia, - wyk lad na zaproszenie 2014 Central European School on Physical Organic Chemistry: Modeling, molecules, processes and properties, 26-30.05, Przesieka, Polska - komunikat Modeling & Design of Molecular Materials 2014, 29.06-3.07, Kudowa Zdrój, Polska - komunikat 2015 14th Central European Symposium on Theoretical Chemistry, 6-9.09, Banská Bystrica, S lowacja XXIth International Conference on Horizons in Hydrogen Bond Research, 13-18.09, Wroc law, Polska 2016 2 nd International Symposium on Halogen Bonding, 6-10.06, Göteborg, Szwecja - poster IMCIHB vs M (H-Si) Agostic Bonds and M (η 2 -SiH) σ Interactions Current Trends in Theoretical Chemistry VII, 4-8.09, Kraków, Polska - poster IMCIHB vs M (H-Si) Agostic Bonds and M (η 2 -SiH) σ Interactions VII. Wyk lady i seminaria pozawydzia lowe: 2006: Blue by Squeeze Zak lad Krystalografii i Krystalochemii, Uniwersytet Lódzki 2011: Wi azanie wodorowe w uściskach. Zak lad Chemii Strukturalnej i Krystalografii, Uniwersytet Lódzki 2012: Theoretical insight into the charge-inverted hydrogen bond Dipartimento di Chimica, Universita Degli Studi di Salerno, Salerno, W lochy 2012: Charge-inverted hydrogen bond Zak lad Chemii Strukturalnej i Krystalografii, Uniwersytet Lódzki 2013: Intramolecular charge-inverted hydrogen bond Zak lad Chemii Strukturalnej i Krystalografii, Uniwersytet Lódzki 2014: Pracownia Chemii Kwantowej, Uniwersytet Warszawski VIII. Publikacje: L. Serrano-Andrés, M. Merchán, M. Jab loński, J. Chem. Phys., 119 (8), (2003), 4294-4304 The electronic spectra of aryl olefins: A theoretical study of phenylacetylene M. Jab loński, Wiad. Chem. 58, 7-8, (2004), 511-534 Niekonwencjonalne wi azania wodorowe, I. Przegl ad wyników teoretycznych. M. Jab loński, Wiad. Chem. 58, 11-12, (2004), 791-814 Niekonwencjonalne wi azania wodorowe, II. Natura przesuniȩcia do wyższych czȩstości. A. Avramopoulos, M. Jab loński, M. G. Papadopoulos, A. J. Sadlej, Chem. Phys., 328, (2006) 33-44 Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding. A model study M. Jab loński, A. Kaczmarek, A. J. Sadlej, J. Phys. Chem. A, 110, (2006), 10890-10898 Estimates of the energy of intramolecular hydrogen bonds M. Jab loński, A. J. Sadlej, Polish J. Chem., 81, (2007), 767-782 Infrared and Raman intensities in proper and improper hydrogen-bonded systems 4
M. Jab loński, A. J. Sadlej, J. Phys. Chem. A, 111, (2007), 3423-3431 Blue-shifting intramolecular C H O interactions M. Jab loński, J. Mol. Struct. (Theochem), 820, (2007), 118-127 Blue-shifting intramolecular C H O(S) contacts in sterically strained systems M. Jab loński, A. J. Sadlej, Chem. Phys. Lett., 463, (2008), 322-326 Influence of the external pressure on improper character of intramolecular C-H O interactions M. Jab loński, M. Palusiak, Phys. Chem. Chem. Phys., 11, (2009), 5711-5719 Divalent carbon atom as the proton acceptor in hydrogen bonding M. Jab loński, Chem. Phys. Lett., 477, (2009), 374-376 Binding of X-H to the lone-pair vacancy: Charge-inverted hydrogen bond M. Jab loński, M. Palusiak, J. Phys. Chem. A, 114, (2010), 2240-2244 Basis set and method dependence in Atoms in Molecules calculations M. Jab loński, J. Mol. Struct. (Theochem), 948, (2010), 21-24 Intramolecular charge-inverted hydrogen bond M. Jab loński, Chem. Phys., 376, (2010), 76-83 Full vs. constrain geometry optimization in the open closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds M. Jab loński, M. Solà, J. Phys. Chem. A, 114, (2010), 10253-10260 Influence of Confinement on Hydrogen Bond Energy. The Case of the FH NCH dimer M. Jab loński, M. Palusiak, J. Phys. Chem. A, 114, (2010), 12498-12505 Basis Set and Method Dependence in Quantum Theory of Atoms in Molecules Calculations for Covalent Bonds M. Jab loński, M. Palusiak, J. Phys. Chem. A, 116, (2012), 2322-2332 Nature of a Hydride Halogen Bond. A SAPT-, QTAIM-, and NBO-Based Study M. Jab loński, J. Phys. Chem. A, 116, (2012), 3753-3764 Energetic and Geometrical Evidence of Non-Bonding Character of Some Intramolecular Halogen Oxygen and Other Y Y Interactions M. Jab loński, Comput. Theoret. Chem., 998 (2012), 39-45 Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond M. Jab loński, W.A. Sokalski, Chem. Phys. Lett., 552 (2012), 156-161 Physical nature of interactions in charge-inverted hydrogen bonds M. Jab loński, M. Palusiak, Chem. Phys., 415 (2013), 207-213 The halogen oxygen interaction in 3-halogenopropenal revisited the dimer model vs. QTAIM indications M. Jab loński, G. Monaco, J. Chem. Inf. Model., 53 (2013), 1661-1675 Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C H O Intramolecular Interactions M. Jab loński, Chem. Phys., 433 (2014), 76-84 Charge-inverted hydrogen bond vs. other interactions possessing a hydridic hydrogen atom M. Jab loński, J. Comput. Chem., 35 (2014), 1739-1747 Red and Blue Shifted Hydridic Bonds G. Monaco, P. Della Porta, M. Jab loński, R. Zanasi, Phys. Chem. Chem. Phys., 17 (2015), 5966-5972 Topology of the magnetically induced current density and proton magnetic shielding in hydrogen bonded systems M. Jab loński, J. Phys. Chem. A, 119 (2015), 4993-5008 QTAIM-Based Comparison of Agostic Bonds and Intramolecular Charge-Inverted Hydrogen Bonds 5
M. Lukomska, A.J. Rybarczyk-Pirek, M. Jab loński, M. Palusiak, Phys. Chem. Chem. Phys., 17 (2015), 16375-16387 The nature of NO-bonding in N-oxide group M. Jab loński, J. Phys. Chem. A, 119 (2015), 11384-11396 Geometry- and QTAIM-Based Comparison of Intramolecular Charge-Inverted Hydrogen Bonds, M (H Si) Agostic Bonds, and M (η 2 -SiH) σ Interactions M. Jab loński, Comput. Theoret. Chem., 1076 (2016), 51-56 Systematic studies of the influence of electronegative X (X = F and Cl) substituents on the structure of the Mn H Si unit and the strength of the Mn (η 2 -SiH) σ interaction in Cp(OC) 2 Mn[η 2 -H(SiH 3 n X n )] (n = 0-3) complexes M. Jab loński, J. Phys. Chem. A, 120 (2016), 4211-4222 Conciliatory Inductive Model Explaining the Origin of Changes in the η 2 -SiH Bond Length Caused by Presence of Strongly Electronegative Atoms X (X = F, Cl) in Cp(OC) 2 Mn[η 2 -H(SiH 3 n X n )] (n = 0-3) Complexes Justyna Dominikowska, Miros law Jab loński, Marcin Palusiak, Phys. Chem. Chem. Phys., 18 (2016), 25022-25026 Feynman force components: basis for a solution to the covalent vs. ionic dilemma M. Jab loński, Comput. Theoret. Chem., 1096 (2016), 54-65 Comparative study of geometric and QTAIM-based differences between X H Y intramolecular chargeinverted hydrogen bonds, M 1 (H X) agostic bonds and M 2 (η 2 -XH) sigma interactions (X = Si, Ge; Y = Al, Ga; M 1 = Ti, Co; M 2 = Mn, Fe, Cr) S. Yourdkhani, M. Jab loński, J. Comput. Chem., 38 (2017), 773-780 Revealing the physical nature and the strength of charge-inverted hydrogen bonds by SAPT(DFT), MP2, SCS-MP2, MP2C, and CCSD(T) methods M. Jab loński, Struct. Chem., xx (2017), xxx-xxx; DOI: 10.1007/s11224-017-0939-6 Strength of Si-H B charge-inverted hydrogen bonds in 1-silacyclopent-2-enes and 1-silacyclohex-2-enes IX. Granty i stypendia: Zewnȩtrzne Grant Narodowego Centrum Nauki (NCN): OPUS9 2015/17/B/ST4/04050 Teoretyczne badania wi azania wodorowego typu charge-inverted. Wewnȩtrzne 29.02.2008-15.12.2008: grant UMK, 366-Ch Modelowanie wp lywu efektów ciśnieniowych na w laściwości uk ladów z wewn atrzmolekularnym wi azaniem wodorowym 20.05.2011-30.11.2011: grant UMK, 427-Ch Niekonwencjonalne s labe oddzia lywania miȩdzy i wewn atrzcz asteczkowe Obliczeniowe 7.05.2009-28.05.2009: HPC-Europa2 Transnational Access The influence of the external pressure onto the energy of inter- and intramolecular hydrogen bonds 3.09.2009-24.09.2009: The influence of the external pressure onto the NMR parameters of the inter- and intramolecularly hydrogen-bonded systems 15.11.2010-05.2012: HPC-Europa2 Transnational Access, CINECA Magnetic properties of weak hydrogen bonded systems 16.08.2012 - : grant ICM, G50-10 Teoretyczne badania wi azania wodorowego typu charge-inverted z udzia lem atomów ciȩżkich X. Nagrody i wyróżnienia: 2007 nagroda zespo lowa II stopnia JM Rektora UMK 6
2008 nagroda indywidualna IV stopnia JM Rektora UMK (za wyróżnion a rozprawȩ doktorsk a pt.: W laściwe i niew laściwe wi azania wodorowe ) 2008 nagroda zespo lowa III stopnia JM Rektora UMK 2010 indywidualne wyróżnienie JM Rektora UMK 2011 nagroda indywidualna III stopnia JM Rektora UMK 2013 nagroda indywidualna III stopnia JM Rektora UMK 2014 indywidualne wyróżnienie JM Rektora UMK 2015 indywidualne wyróżnienie JM Rektora UMK 2016 wyróżnienie zespo lowe JM Rektora UMK Toruń, April 27, 2017 dr Miros law Jab loński 7