TY - JOUR AU - Prekob, Ádám AU - Hajdu, Viktória AU - Fejes, Zsolt AU - Kristály, Ferenc AU - Viskolcz, Béla AU - Vanyorek, László TI - Preparation and Testing of a Palladium-Decorated Nitrogen-Doped Carbon Foam Catalyst for the Hydrogenation of Benzophenone JF - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES J2 - INT J MOL SCI VL - 24 PY - 2023 IS - 15 PG - 11 SN - 1661-6596 DO - 10.3390/ijms241512211 UR - https://m2.mtmt.hu/api/publication/34104723 ID - 34104723 AB - Catalytic activity of a palladium catalyst with a porous carbon support was prepared and tested for benzophenone hydrogenation. The selectivity and yields toward the two possible reaction products (benzhydrol and diphenylmethane) can be directed by the applied solvent. It was found that in isopropanol, the prepared support was selective towards diphenylmethane with high conversion (99% selectivity and 99% benzophenone conversion on 323 K after 240 min). This selectivity might be explained by the presence of the incorporated structural nitrogens in the support. LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Viskolcz, Béla AU - Fejes, Zsolt AU - Fiser, Béla TI - Urethane formation in the presence of 2,2-dimorpholinodiethylether (DMDEE) and 1,4-dimethylpiperazine (DMP) – A combined experimental and theoretical study JF - COMPUTATIONAL AND THEORETICAL CHEMISTRY J2 - COMPUT THEOR CHEM VL - 1221 PY - 2023 PG - 8 SN - 2210-271X DO - 10.1016/j.comptc.2023.114045 UR - https://m2.mtmt.hu/api/publication/33607275 ID - 33607275 LA - English DB - MTMT ER - TY - CHAP AU - Qasim, Hadeer Waleed AU - Fejes, Zsolt AU - Viskolcz, Béla AU - Fiser, Béla ED - Hornyák-Mester, Enikő ED - Mentes, Dóra ED - Nagy, Miklós ED - Fiser, Béla ED - Viskolcz, Béla TI - Experimental and Theoretical Study of Urethane Formation in the Presence of Amine Catalyst T2 - Symposium on Polyurethane Innovation - SPI 2022, Conference publications PB - Miskolci Egyetem, Kémiai Intézet CY - Miskolc-Egyetemváros SN - 9789633582541 PY - 2022 SP - 28 EP - 35 PG - 8 UR - https://m2.mtmt.hu/api/publication/33226793 ID - 33226793 LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Csécsi, Marcell Dániel AU - Konyhás, Vivien AU - Boros, Renáta Zsanett AU - Viskolcz, Béla AU - Fejes, Zsolt AU - Fiser, Béla TI - Aliphatic Tertiary Amine Catalysed Urethane Formation – A Combined Experimental and Theoretical Study JF - PHYSICAL CHEMISTRY CHEMICAL PHYSICS J2 - PHYS CHEM CHEM PHYS VL - 24 PY - 2022 IS - 34 SP - 20538 EP - 20545 PG - 8 SN - 1463-9076 DO - 10.1039/D2CP00728B UR - https://m2.mtmt.hu/api/publication/33042031 ID - 33042031 AB - A kinetic and mechanistic investigation of the alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile in the presence of different tertiary amine catalysts was undertaken. The reaction... LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Pecsmány , Dániel János AU - Csécsi, Marcell Dániel AU - Farkas, László AU - Viskolcz, Béla AU - Fejes, Zsolt AU - Fiser, Béla TI - Experimental and Theoretical Study of Cyclic Amine Catalysed Urethane Formation JF - POLYMERS J2 - POLYMERS-BASEL VL - 14 PY - 2022 IS - 14 PG - 11 SN - 2073-4360 DO - 10.3390/polym14142859 UR - https://m2.mtmt.hu/api/publication/32946786 ID - 32946786 AB - The alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile in the presence of different cyclic amine catalysts was examined using a combined kinetic and mechanistic approach. The molecular mechanism of urethane formation without and in the presence of cyclic amine catalysts was studied using the G3MP2BHandHLYP composite method in combination with the SMD implicit solvent model. It was found that the energetics of the model reaction significantly decreased in the presence of catalysts. The computed and measured thermodynamic properties were in good agreement with each other. The results prove that amine catalysts are important in urethane synthesis. Based on the previous and current results, the design of new catalysts will be possible in the near future. LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Csécsi, Marcell Dániel AU - Hadjadj, Rachid AU - Thangaraj, Ravikumar AU - Pecsmány , Dániel János AU - Owen, Michael Christopher AU - Szőri, Milán AU - Fejes, Zsolt AU - Viskolcz, Béla AU - Fiser, Béla TI - Computational study of catalytic urethane formation JF - POLYMERS J2 - POLYMERS-BASEL VL - 14 PY - 2022 IS - 1 PG - 11 SN - 2073-4360 DO - 10.3390/polym14010008 UR - https://m2.mtmt.hu/api/publication/32578549 ID - 32578549 N1 - Export Date: 7 January 2022 Correspondence Address: Fiser, B.; Institute of Chemistry, Hungary; email: kemfiser@uni-miskolc.hu Funding details: European Commission, EC Funding details: European Regional Development Fund, ERDF, GINOP-2.3.4-15-2016-00004 Funding details: Nemzeti Kutatási, Fejlesztési és Innovaciós Alap, NKFIA, TKP2021-NVA-14 Funding text 1: This research is supported by the European Union and the Hungarian State, co-financed by the European Regional Development Fund in the framework of the GINOP-2.3.4-15-2016-00004 project, which aims to promote cooperation between higher education and industry. Further support has been provided by the National Research, Development and Innovation Fund (Hungary) within the TKP2021-NVA-14 project. AB - Polyurethanes (PUs) are widely used in different applications, and thus various synthetic procedures including one or more catalysts are applied to prepare them. For PU foams, the most important catalysts are nitrogen-containing compounds. Therefore, in this work, the catalytic effect of eight different nitrogen-containing catalysts on urethane formation will be examined. The reactions of phenyl isocyanate (PhNCO) and methanol without and in the presence of catalysts have been studied and discussed using the G3MP2BHandHLYP composite method. The solvent effects have also been considered by applying the SMD implicit solvent model. A general urethane formation mechanism has been proposed without and in the presence of the studied catalysts. The proton affinities (PA) were also examined. The barrier height of the reaction significantly decreased (∆E0 > 100 kJ/mol) in the presence of the studied catalysts, which proves the important effect they have on urethane formation. The achieved results can be applied in catalyst design and development in the near future. © 2021 by the authors. Licensee MDPI, Basel, Switzerland. LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Csécsi, Marcell Dániel AU - Hadjadj, Rachid AU - Thangaraj, Ravikumar AU - Owen, Michael Christopher AU - Szőri, Milán AU - Fejes, Zsolt AU - Viskolcz, Béla AU - Fiser, Béla TI - The Catalytic Effect of DBU on Urethane Formation – A Computational Study JF - MATERIALS SCIENCE AND ENGINEERING: A PUBLICATION OF THE UNIVERSITY OF MISKOLC J2 - MATER SCI ENGINEERING MISKOLC VL - 46 PY - 2021 IS - 1 SP - 70 EP - 77 PG - 8 SN - 2063-6792 UR - https://m2.mtmt.hu/api/publication/32785146 ID - 32785146 LA - English DB - MTMT ER - TY - JOUR AU - Prekob, Ádám AU - Vanyorek, László AU - Fejes, Zsolt TI - Hydrogenation of benzophenone by carbon-supported Pd catalysts JF - MATERIALS TODAY CHEMISTRY J2 - MATER TODAY CHEM VL - 19 PY - 2021 PG - 6 SN - 2468-5194 DO - 10.1016/j.mtchem.2020.100409 UR - https://m2.mtmt.hu/api/publication/31806376 ID - 31806376 LA - English DB - MTMT ER - TY - JOUR AU - Prekob, Ádám AU - Hajdu, Viktória AU - Vanyorek, László AU - Muránszky, Gábor AU - Fejes, Zsolt TI - Activity and selectivity of noble metal decorated nitrogen-doped carbon nanotubes supported on zeolite spheres in catalytic hydrogenation of benzophenone JF - JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY J2 - J DISPER SCI TECHNOL VL - 40 PY - 2020 SP - 1 EP - 6 PG - 6 SN - 0193-2691 DO - 10.1080/01932691.2020.1775639 UR - https://m2.mtmt.hu/api/publication/31341855 ID - 31341855 LA - English DB - MTMT ER - TY - JOUR AU - CHEIKH, Wafaa AU - Rózsa, Zsófia Borbála AU - Camacho López, Christian Orlando AU - Mizsey, Péter AU - Viskolcz, Béla AU - Szőri, Milán AU - Fejes, Zsolt TI - Urethane Formation with an Excess of Isocyanate or Alcohol: Experimental and Ab Initio Study JF - POLYMERS J2 - POLYMERS-BASEL VL - 11 PY - 2019 IS - 10 SP - 1543 PG - 11 SN - 2073-4360 DO - 10.3390/polym11101543 UR - https://m2.mtmt.hu/api/publication/30814270 ID - 30814270 N1 - Cited By :8 Export Date: 13 January 2022 Correspondence Address: Szori, M.; Institute of Chemistry, Miskolc-Egyetemváros A/2, Hungary; email: milan.szori@uni-miskolc.hu LA - English DB - MTMT ER -