@article{MTMT:34555466,
	title = {Ruthenium complexes of new chiral phosphine‐amine‐ether ligands (Ru‐PNO) for asymmetric hydrogenation – the role of backbone chirality in pincer ligand design},
	url = {https://m2.mtmt.hu/api/publication/34555466},
	author = {Császár, Zsófia and Pőrgye, Zsanett E. and Farsang, Evelin and Kovács, Margit and Bényei, Attila Csaba and Bakos, József and Farkas, Gergely},
	doi = {10.1002/aoc.7379},
	journal-iso = {APPL ORGANOMET CHEM},
	journal = {APPLIED ORGANOMETALLIC CHEMISTRY},
	unique-id = {34555466},
	issn = {0268-2605},
	abstract = {New chiral phosphine‐amine‐ether (PNO) ligands of the general formula Ph 2 PCH(R 1 )(CH 2 ) n CH(R 1 )N(R 2 )CH(R 3 )CH 2 OMe, where R 1 , R 2 , and R 3  = H or Me, n  = 0 or 1, and their ruthenium complexes of the type [RuCl 2 (PPh 3 )(PNO)] have been synthesized. The coordination compounds were characterized by 1D and 2D NMR spectroscopy, modeled by DFT calculations, and in one case analyzed by X‐ray crystallography. The combined spectroscopic and theoretical investigations revealed that the relative configuration of the stereogenic elements in the P–N and N–O backbone represents a crucial factor in determining the conformation of the pincer‐type chelates and may also affect the configuration of the coordinated stereogenic nitrogen in the NH subunit, an essential element of stereochemical communication in outer sphere bifunctional catalysis. The new complexes were applied in the asymmetric hydrogenation of fused ring bicyclic ketones (i.e., 1‐tetralone and 4‐chromanone derivatives), a challenging substrate class, where enantioselectivities up to 97% could be obtained. Based on the spectroscopic and theoretical studies and catalytic experiments, structural features affecting the stereochemistry of the coordination could be identified and a qualitative enantioinduction model has been proposed.},
	keywords = {asymmetric hydrogenation; Chromanone},
	year = {2024},
	eissn = {1099-0739},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Pőrgye, Zsanett E./0009-0007-1600-9316; Farsang, Evelin/0000-0003-2484-0920}
}

@article{MTMT:33785458,
	title = {Application of alkane-diyl based chiral phosphine-aminophosphine (P-NP) and thioether-aminophosphine (S-NP) ligands in Rh-catalyzed asymmetric hydrogenation},
	url = {https://m2.mtmt.hu/api/publication/33785458},
	author = {Farkas, Gergely and Császár, Zsófia and Farsang, Evelin and Bényei, Attila Csaba and Bakos, József},
	doi = {10.1016/j.jorganchem.2023.122723},
	journal-iso = {J ORGANOMET CHEM},
	journal = {JOURNAL OF ORGANOMETALLIC CHEMISTRY},
	volume = {994},
	unique-id = {33785458},
	issn = {0022-328X},
	year = {2023},
	eissn = {1872-8561},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Farsang, Evelin/0000-0003-2484-0920}
}

@article{MTMT:33059894,
	title = {Testing the role of the backbone length using bidentate and tridentate ligands in manganese-catalyzed asymmetric hydrogenation},
	url = {https://m2.mtmt.hu/api/publication/33059894},
	author = {Császár, Zsófia and Kovács, Regina and Fonyó, Máté and Simon, József and Bényei, Attila Csaba and Lendvay, György and Bakos, József and Farkas, Gergely},
	doi = {10.1016/j.mcat.2022.112531},
	journal-iso = {MOL CATAL},
	journal = {MOLECULAR CATALYSIS},
	volume = {529},
	unique-id = {33059894},
	issn = {2468-8231},
	abstract = {Manganese complexes modified by simple alkane-diyl based P,N (Ph2PCH(CH3)(CH2)mCH(CH3)NHC2H5; m = 0, 1) and potentially tridentate P,N,N (Ph2PCH(CH3)(CH2)(m)CH(CH3)NH(CH2)(n)N(CH3)(2); m = 0, 1; n = 2, 3) type ligands have been synthesized and tested in the asymmetric hydrogenation of ketones. The combined coordination and catalytic studies led to the conclusion that the N-N tether length of the P,N,N type compounds plays a crucial role in determining the chemoselectivity, while the length of the P-N skeleton has been shown to affect the catalytic activity. Mn-catalysts containing P,N,N ligands with the proper tether lengths (m = 0, n = 1) provided high enantioselectivities (up to 95% ee) and activities in the asymmetric hydrogenation of acetophe-none derivatives. The influence of substitution of the acetophenone substrate and the reaction conditions is demonstrated. Based on quantum chemistry calculations, a qualitative model explaining the origin of enantio-selectivity is proposed.},
	year = {2022},
	eissn = {2468-8274},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Fonyó, Máté/0000-0002-3966-4387; Bényei, Attila Csaba/0000-0002-0617-6264; Lendvay, György/0000-0002-2150-0376; Farkas, Gergely/0000-0002-4119-0918}
}

@article{MTMT:33054254,
	title = {Hydrogen bond-directed coordination of phosphine-amino-alcohol (P,N,OH) ligands: stereochemical considerations and catalytic studies},
	url = {https://m2.mtmt.hu/api/publication/33054254},
	author = {Császár, Zsófia and Guóth, Mária and Farsang, Evelin and Bényei, Attila Csaba and Bakos, József and Farkas, Gergely},
	doi = {10.1016/j.ica.2022.121153},
	journal-iso = {INORG CHIM ACTA},
	journal = {INORGANICA CHIMICA ACTA},
	volume = {543},
	unique-id = {33054254},
	issn = {0020-1693},
	abstract = {Novel phosphine-aminoalcohol type chiral ligands of the chemical formula Ph2PCH(CH3)CH2CH(CH3)NHCH(R)CH2OH (1a: (R,R)-(S), R = CH3, 1b: (S,S)-(S), R = CH3, 1c: (S,S), R = H) have been synthesized in two simple steps using cyclic sulfates. The coordination behavior of 1a-c having stereochemically labile nitrogen donor to square planar Pd(II) center was investigated by X-ray crystallography, 1D and 2D NMR methods and by DFT calculations. In the solid state of complex [Pd(1a)Cl2] an intramolecular hydrogen bond could be observed between the OH-moiety and one of the Cl co-ligands, while intermolecular hydrogen bonds were detected in the case of [Pd(1b)Cl2] between the same functionalities. In the dichloromethane solution of the complexes the hydrogen bond was identified as a crucial factor in determining ring conformation and nitrogen configuration. Ligand 1a coordinated stereoselectively to the metal in [Pd(1a)Cl2] leading to a complex having a single conformationally rigid six-membered chelate and a configurationally fixed N-donor. In contrast, coordination of ligands 1b-c resulted in the formation of a mixture of isomers with different chelate conformation and nitrogen configuration. The ligands were utilized in Pd-catalyzed asymmetric allylic alkylation where high enantioselectivities (ees up to 96 %) and activities could be obtained.},
	year = {2022},
	eissn = {1873-3255},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Farsang, Evelin/0000-0003-2484-0920}
}

@article{MTMT:32568616,
	title = {Variációk négy donoratomra (P, N, S, O): a ligandum szerkezetének finomhangolása nagy hatékonyságú katalizátorok előállítására},
	url = {https://m2.mtmt.hu/api/publication/32568616},
	author = {Császár, Zsófia and Major, Máté Miklós and Bakos, József and Farkas, Gergely},
	doi = {10.24100/MKF.2021.03-4.137},
	journal-iso = {MAGY KÉM FOLY KÉM KÖZL},
	journal = {MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-)},
	volume = {127},
	unique-id = {32568616},
	issn = {1418-9933},
	year = {2021},
	eissn = {1418-8600},
	pages = {137-143},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Major, Máté Miklós/0000-0002-7155-6909}
}

@article{MTMT:32235303,
	title = {Novel Pd(PN,S)-complexes: Highly active catalysts designed for asymmetric allylic etherification},
	url = {https://m2.mtmt.hu/api/publication/32235303},
	author = {Major, Máté Miklós and Guoth, Maria and Balogh, Szabolcs and Simon, József and Bényei, Attila Csaba and Bakos, József and Farkas, Gergely},
	doi = {10.1016/j.mcat.2021.111763},
	journal-iso = {MOL CATAL},
	journal = {MOLECULAR CATALYSIS},
	volume = {512},
	unique-id = {32235303},
	issn = {2468-8231},
	abstract = {Six novel thioether-aminophosphine type ligands with a general formula (Ar1)2PN(R1)CHR2(CH2)nCH(R3)SAr2 has been synthesized. The modular structure of the ligands and the new methodologies developed for their preparation enabled the systematic variation of their bridge length (n = 0 or 1), the substitution pattern of the backbone (R2, R3 = H or Me) as well as the P-, N- and S-substituents (Ar1 = Ph or 3,5-Me2C6H3, R1 = Et or iPr and Ar2 = Ph, 4-MeC6H4, or 4-MeOC6H4, respectively). The ligands proved to be effective in Pd-catalyzed asymmetric allylic etherification reactions providing the products in high yields (up to 95%) and with good enantioselectivities (up to 86%) using unprecedentedly low (0.2 mol%) loadings of the chiral Pd-catalyst. Based on these findings, a new scalable protocol has been developed for the preparation of chiral allylic ethers. Furthermore, the Pd(II) coordination chemistry of the ligands was thoroughly investigated by 1D and 2D NMR methods as well as by X-ray crystallography with special attention to the conformation of the chelate ring and the stereoselectivity of the sulfur coordination. Based on these studies, the main factors determining activity and selectivity of the catalytic system have been identified.},
	keywords = {ALKYLATION; coordination; amination; SUBSTITUTION; stereoselective coordination; Thioether-aminophosphine; Allylic etherification; MIXED PHOSPHORUS/SULFUR LIGANDS},
	year = {2021},
	eissn = {2468-8274},
	orcid-numbers = {Major, Máté Miklós/0000-0002-7155-6909}
}

@{MTMT:31995534,
	title = {Asymmetric Hydrogenation in Continuous-Flow Conditions},
	url = {https://m2.mtmt.hu/api/publication/31995534},
	author = {Farkas, Gergely and Madarász, József and Bakos, József},
	booktitle = {Asymmetric Hydrogenation and Transfer Hydrogenation},
	doi = {10.1002/9783527822294.ch10},
	unique-id = {31995534},
	year = {2021},
	pages = {307-337}
}

@article{MTMT:31995530,
	title = {New chiral thioether-phosphite ligands and their rhodium-coordination chemistry: steric and electronic properties, dynamic processes and application in catalysis},
	url = {https://m2.mtmt.hu/api/publication/31995530},
	author = {Major, Máté Miklós and Balogh, Szabolcs and Simon, József and Bakos, József and Farkas, Gergely},
	doi = {10.1080/00958972.2021.1892086},
	journal-iso = {J COORD CHEM},
	journal = {JOURNAL OF COORDINATION CHEMISTRY},
	volume = {74},
	unique-id = {31995530},
	issn = {0095-8972},
	year = {2021},
	eissn = {1029-0389},
	pages = {1311-1322},
	orcid-numbers = {Major, Máté Miklós/0000-0002-7155-6909}
}

@{MTMT:33813221,
	title = {Királis kéntartalmú katalizátorok fejlesztése},
	url = {https://m2.mtmt.hu/api/publication/33813221},
	author = {Major, Máté Miklós and Guóth, Mária and Balogh, Szabolcs and Bényei, Attila and Bakos, József and Farkas, Gergely},
	booktitle = {Pannon Egyetem, Mérnöki Kari Tudományos Konferencia 2020. szeptember 16.},
	unique-id = {33813221},
	abstract = {Napjainkban nagy kihívást jelent a környezetkímélő vegyipari megoldások fejlesztése és ipari
		folyamtokba való integrálása. Egyes reakciók energiaigénye (hő és nyomás), valamint a keletkező
		melléktermék mennyisége is csökkenthető átmenetifém-komplexek alkalmazásával, így eleget
		tesznek a zöld kémia alapelveinek. Ipari folyamatokban biológiailag aktív vegyületek előállítására
		elterjedten alkalmaznak királis átmenetifém-komplexeket. E módszer előnye, hogy a
		sztereoszelektív reakció során a királis információ átadása rendkívül kis mennyiségű optikailag
		aktív katalizátor és nagy mennyiségű akirális vagy racém szubsztrátum között megy végbe.
		Munkám során tioéter-amin és tioéter-aminofoszfin ((S,N) és (S,PN)) ligandumokat
		tartalmazó Pd-katalizátorok fejlesztését tűztem ki célul. A katalizátortervezés folyamán vizsgáltam a
		ligandumok sztérikus és elektronikus tulajdonságainak hatását, valamint sikerült elvégeznem egyes
		komplexek konformáció-analízisét és megfigyelnem dinamikus tulajdonságait is. A ligandumokból
		„in situ” képzett Pd-katalizátorokat aszimmetrikus C-C kapcsolási reakcióban teszteltem.
		Megállapítottam, hogy a legígéretesebb Pd(S,N)-komplexek zöld oldószerben (propilén-karbonát) is
		alkalmazhatók, valamint felhasználásukkal a szakirodalomban is kiemelkedő 93%-os
		enantioszelektivitást sikerült elérnem.
		A tioéter-amin ligandumok módosításával tioéter-aminofoszfin ligandumokat sikerült
		előállítanom. Utóbbi vegyületek palládiummal alkotott komplexei a Pd(S,N) típusú katalizátoroknál
		aktívabbak, ezen kívül alkalmasak sztereoszelektív C-C, C-N és C-O kapcsolási reakciók
		kivitelezésére is. Utóbbi reakciót részletesen vizsgálatam, és összefüggést állapítottam meg a
		komplexek szerkezete, a nukleofil ágens (alkohol) és az oldószer minősége, valamint a reakció
		aktivitása és szelektivitása között. A Pd(S,PN)-komplexek kiváló aktivitását jelzi, hogy a vizsgált
		reakció mindössze 0,2 mol% katalizátor jelenlétében szobahőmérsékleten, 24 órán belül jó
		enantioszelektivitással lejátszódik, mely a tématerületen kiemelkedő eredménynek számít.},
	year = {2020},
	pages = {27},
	orcid-numbers = {Major, Máté Miklós/0000-0002-7155-6909}
}

@article{MTMT:31625235,
	title = {Chelate ring size effects of Ir(P,N,N) complexes: Chemoselectivity switch in the asymmetric hydrogenation of alpha,beta-unsaturated ketones},
	url = {https://m2.mtmt.hu/api/publication/31625235},
	author = {Császár, Zsófia and Szabo, Eszter Z. and Bényei, Attila Csaba and Bakos, József and Farkas, Gergely},
	doi = {10.1016/j.catcom.2020.106128},
	journal-iso = {CATAL COMMUN},
	journal = {CATALYSIS COMMUNICATIONS},
	volume = {146},
	unique-id = {31625235},
	issn = {1566-7367},
	abstract = {A novel, highly modular approach has been developed for the synthesis of new chiral P,N,N ligands with the general formula Ph2P(CH3)CH(CH2)mCH(CH3)NHCH2CH2(CH2)nN(CH3)(2) and Ph2P(CH3)CHCH2CH(CH3)NHCH2(CH2)(n)-2-Py (m, n = 0, 1). The systematic variation of their P-N and N-N backbone led to the conclusion that the activity, chemoand enantioselectivity in the hydrogenation of alpha,beta-unsaturated ketones are highly dependent on the combination of the two bridge lengths. It has been found that a minor change in the ligand's structure, i. e. varying the value of m from 1 to 0, can switch the chemoselectivity of the reaction, from 80% C=O to 97% C=C selectivity.},
	keywords = {ESTERS; asymmetric hydrogenation; coordination; chelate ring size; HIGHLY EFFICIENT; PHOSPHINE-PHOSPHITE LIGANDS; Iridium catalysts; P,N,N ligand; KETOESTERS},
	year = {2020},
	eissn = {1873-3905},
	orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790}
}