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prof. RNDr. Petr Nachtigall, Ph.D.

ResearcherID A-6220-2013


Publication since 2009


Petr Nachtigall, Ho Viet Thang, Lukáš Grajciar, Ota Bludský, Roman Bulánek, Eva Frýdová, Carlos Otero Areán, „Adsorption of CO2 in FAU zeolites: effect of zeolite composition”, Catal Today, http://dx.doi.org/10.1016/j.cattod.2013.10.036 (2014)

Jan Hermann,a Michal Trachta,a Petr Nachtigall,b Ota Bludský, “Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites”, Catal. Today, http://dx.doi.org/10.1016/j.cattod.2013.09.016 (2014)

Carlos O. Arean, Montserrat R. Delgado, Petr Nachtigall, Ho Viet Thang, Miroslav Rubeš, Roman Bulánek, Pavla Chlubná-Eliášová, “Measuring the Brønsted acid strength of zeolites ─ does it correlate with the O−H frequency shift probed by a weak base?”, Phys. Chem. Chem. Phys, DOI: 10.1039/C3CP54738H (2014).


Lukáš Grajciar, Ota Bludský, Wieslaw J. Roth, Petr Nachtigall „Theoretical investigation of layered zeolite frameworks: interaction between IPC-1P layers derived from zeolite UTL“, Catal. Today 204 (2013) 15.  http://dx.doi.org/10.1016/j.cattod.2012.07.018

Miroslav Položij, Elena Pérez-Mayoral, Jiří Čejka, Jan Hermann, Petr Nachtigall „Theoretical investigation of the Friedländer reaction catalyzed by CuBTC: concerted effect of the adjacent Cu2+ sites”, Catal. Today 204 (2013) 101.  http://dx.doi.org/10.1016/j.cattod.2012.08.025

Maksym Opasenko, Amarajothi Dhakshinamoorthy, Mariya Shamzhy, Petr Nachtigall, Michal Horáček, Hermenegildo Garcia and Jiri Čejka “Comparison of the catalytic activity of MOFs and zeolites in knoevenagel condensation”, Catalysis Science and Technology, 3 (2013) 500. DOI: 10.1039/C2CY20586F http://xlink.rsc.org/?doi=C2CY20586F

Mariya Shamzhy, Oleksiy V. Shvets, Maksym V. Opanasenko, Dana Procházková , Petr Nachtigall, Jiří Čejka "The effect of synthesis conditions and nature of heteroatom on acidic properties of isomorphously substituted UTL zeolites", Adv. Porous. Mater. 1 (2013) 103. http://dx.doi.org/10.1166/apm.2013.1011

Wieslaw J. Roth, Petr Nachtigall, Russell E. Morriss, Paul S. Wheatley, Valerie Seymour, Sharon E. Ashbrook, Pavla Chlubná, Lukáš Grajciar, Miroslav Položij, Zrnošt Zukal, Oleksiy Shvets, Jiří Čejka, "A family of complex zeolites with controlled pore size prepared through a 'top down'method", Nature Chemistry 5 (2013) 628. DOI: 10.1038/NCHEM.1662

Elena Pérez-Mayoral, Ines Matos, Petr Nachtigall, Miroslav Položij, Isabel Fonseca, Dana Vitvarová-Procházková, and Jiří Čejka, " Intramolecular Hydroalkoxylation of Non-activated C-C Double Bonds Catalyzed by Zeolites: Experimental and Theoretical Study" ChemSusChem 6 (2013) 1021.  DOI: 10.1002/cssc.201300173

Oleskiy V. Shvets, Petr Nachtigall, Wieslaw J. Roth, Jiří Čejka, "UTL zeolite and the way beyond", Microporous Mesoporous Mater., 182 (2013) 229.  http://www.sciencedirect.com/science/article/pii/S1387181113001510

Miroslav Rubeš, Andrew D. Wiersum, Philip L. Llewellyn, Lukáš Grajciar, Ota Bludský, and Petr Nachtigall, " Adsorption of Propane and Propylene on CuBTC Metal–Organic Framework: Combined Theoretical and Experimental Investigation", J. Phys. Chem. C, 117 (2013) 11159. DOI: 10.1021/jp401600v


“Combined Theoretical and Experimental Investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF” Rubes, M.; Grajciar, L.; Bludsky, O.; Wiersum, A. D.; Llewellyn, P.; Nachtigall, P.,  Chem. Phys. Chem. 13 (2012) 488.  DOI: 10.1002/cphc.201100602

P. Nachtigall, M. R. Delgado, D. Nachtigallova, and C. O. Arean, “The nature of cationic adsorption sites in alkaline zeolites– single, dual and multiple cation sites” Phys. Chem. Chem. Phys., 14 (2012) 1552-1569. DOI: 10.1039/C2CP23237E

Petr Nachtigall, Lukáš Grajciar, Joaquín Pérez-Pariente, Ana B. Pinar, Arnošt Zukal and Jiří Čejka, “Control of  CO2 adsorption heats by the Al distribution in FER zeolites : Effect of synthesis conditions” Phys. Chem. Chem. Phys. 14 (2012) 1117.    DOI: 10.1039/C1CP22816A link

Elena Pérez-Mayoral, Zuzana Musilová, Barbara Gil, Bartosz Marszalek, Miroslav Položij, Petr Nachtigall and Jiri Čejka, “Synthesis of Quinolines via Friedländer Reaction catalyzed by CuBTC Metal-Organic-Framework” Dalton Transactions, 41 (2012) 4036.  DOI: 10.1039/C2DT11978A

P. Nachtigall, M. R. Delgado, D. Nachtigallova, and C. O. Arean, “Reply to the ‘Comment on ‘‘The nature of cationic adsorption sites in alkaline zeolites—single, dual and multiple cation sites’’’ by O. Cairon, Phys. Chem. Chem. Phys., 2012, 14, DOI: 10.1039/c2cp40963a” Phys. Chem. Chem. Phys., 14 (2012) 10353.  DOI: 10.1039/C2CP41571B

Lukáš Grajciar, Jiří Čejka, Arnošt Zukal, Carlos Otero Areán, Gemma Turnes Palomino, Petr Nachtigall “Adsorption of CO2 in zeolites: controlling the interaction energy by zeolite topology and composition”, ChemSusChem, 5 (2012) 2011. (IF 6.827)  http://dx.doi.org/10.1002/cssc.201200270


"The first post-synthesis transformation of 3-dimensional framework into a lamellar zeolite with modifiable architecture" W. J. Roth, O. V. Shvets, M. Shamzhy, P. Chlubná, M. Kubů, P. Nachtigall, and J. Čejka, J. Am. Chem. Soc. 133 (2011) 6130.

"Variable temperature IR spectroscopic and theoretical studies on CO2 adsorbed in the zeolite K-FER", C. O. Arean, M. R. Delgado, G. F. Bibiloni, O. Bludsky, P. Nachtigall, ChemPhysChem 12 (2011) 1435.

“Vibrational dynamics of adsorbed CO2: separability of the CO2 asymmetric stretching mode”, O. Bludský, P. Nachtigall, V. Špirko, Collect. Czech Chem. Commun. 76 (2011) 669.

“Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite”, A. Zukal, C. O. Arean, M. R. Delgado, P. Nachtigall, A. Pulido, J. Mayerova, J. Čejka, Microporous Mesoporous Mater., 146 (2011) 97-105.

“Population and Properties of Heterogeneous Dual Sites in Cu,M-FER Zeolites: Combined Experimental and Theoretical Investigation”, Roman Bulanek, Karel Frolich, Dana Nachtigallová, Angeles Pulido, Petr Nachtigall, J. Phys. Chem. C, 115 (2011) 13312.

“Understanding CO2 adsorption in CuBTC MOF : comparing hybrid DFT-ab initio calculations with microcalorimetry experiments.”, Grajciar, L.; Wiersum, A. D.; Llewellyn, P.; Chang, J.-S.; Nachtigall, P., J. Phys. Chem. C 115 (2011) 17925.

“The accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes.”, Jiří Kysilka, Miroslav Rubeš, Lukáš Grajciar, Petr Nachtigall, Ota Bludský, J. Phys. Chem. A, 11487 (2011) 115.

“Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by direct Implementation of an ab-initio derived Potential Energy Surface into GCMC simulation”, Chen, L.; Grajciar, L.; Nachtigall, P.; Duren, T., J. Phys. Chem. C. 2011, in press.

“Combined Theoretical and Experimental Investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF”, Rubes, M.; Grajciar, L.; Bludsky, O.; Wiersum, A. D.; Llewellyn, P.; Nachtigall, P., Chem. Phys. Chem. 2011, in press.

“The nature of cationic adsorption sites in alkaline zeolites– single, dual and multiple cation sites”, P. Nachtigall, M. R. Delgado, D. Nachtigallova, and C. O. Arean, Phys. Chem. Chem. Phys., in press.


"Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER." L. Grajciar, A. Pulido, C. Oter-Arean, P. Nachtigall, Phys. Chem. Chem. Phys., 12 (2010) 1497.

"Themed Issue on characterization of adsorbed species – Editorial" P. Nachtigall and C. Otero Arean,Phys. Chem. Chem. Phys. 12 (2010), 6307.

"Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio" A. Zukal, A. Pulido, B. Gil, P. Nachtigall, O. Bludský, M. Rubeš, J. Čejka, Phys. Chem. Chem. Phys., 12 (2010) 6413.

"DFT/CC investigation of physical adsorption on graphite (0001) surface" M. Rubeš, J. Kysilka, P. Nachtigall, O. Bludský, Phys. Chem. Chem. Phys., 12 (2010) 6438.

"Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MO" 94. Lukáš Grajciar, Ota Bludský, Petr Nachtigall, J. Phys. Chem. Lett., 1 (2010) 3354.


“Correlation between catalytic activity and metal cation coordination: NO decomposition over Cu-zeolites”. A. Pulido, P. Nachtigall, ChemCatChem, 1 (2009) 449.

“Combined DFT/CC and IR spectroscopic studies on carbon dioxide adsorption on the zeolite H-FER”. A. Pulido, M. R. Delgado, O. Bludsky, M. Rubes, P. Nachtigall, C. O. Arean, Energy Environ. Sci., 2 (2009) 1187.

„Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation“. C. O. Areán, G. T. Palomino, M. R. Llop Carayol, A. Pulido, M. Rubeš, O. Bludský, P. Nachtigall,  Chem. Phys. Letters, 477 (2009) 139.

“Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes”. R. Bulánek, I. Voleská, E. Ivanova, K. Hadjiivanov, P. Nachtigall, J. Phys. Chem. C, 113 (2009) 11066.

“Structure and Stability of the Water-Graphite Complexes”. M. Rubeš, P. Nachtigall, J. Vondrášek, O. Bludský, J. Phys. Chem. C, 113 (2009) 8412.

“The adsorption of CO2 on Na-FER: the bridged CO2 complexes formed between two extra-framework cations”. A. Pulido, P. Nachtigall, A. Zukal, I. Dominguez, J. Čejka, J. Phys. Chem. C, 113 (2009) 2928.

“Computational and VTIR spectroscopic studies on carbon monoxide adsorption on zeolite Ca-A”. A. Pulido, P. Nachtigall, M. R. Delgado, C. O. Arean, Chemphyschem, 10 (2009) 1058.

“Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process”. A. Pulido and P. Nachtigall, Phys. Chem. Chem. Phys., 11 (2009) 1447.

“Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite”. P. Nachtigall, O. Bludský, L. Grajciar, D. Nachtigallová, M. R. Delgado, and C. O. Areán, Phys. Chem. Chem. Phys., 11 (2009) 791.

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