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001-es BibID:	BIBFORM101132
035-os BibID:	(cikkazonosító)3471 (scopus)85126837833 (wos)000781445400001
Első szerző:	Szabó Zita
Cím:	Synthesis and Vibrational Circular Dichroism Analysis of N-Heterocyclic Carbene Precursors Containing Remote Chirality Centers / Szabó Zita, Paczal Attila, Kovács Tibor, Mándi Attila, Kotschy András, Kurtán Tibor
Dátum:	2022
ISSN:	1661-6596 1422-0067
Megjegyzések:	VCD analysis of 16 diastereomeric pairs of NHC precursors containing two isolated chirality centers and different substitution patterns identified VCD transitions characteristic of the chirality center in the imidazolium ring or in the side chain, which, in contrast to ECD and OR, could be utilized to assign the two chirality centers separately by simple comparison, regardless of the type and position of achiral aromatic substituents. While the ECD and OR data showed great dependence on the position of an achiral substituent such as a methoxy group, characteristic experimental VCD transitions remained consistent and they could be used to determine the absolute configuration of all the regio- and stereoisomers and substituted analogues. VCD, ECD and OR approaches were evaluated, and several carbene precursors were found, for which only the VCD method could distinguish the four stereoisomers. With t-butyl, phenyl or 2-naphthyl substituents at the C-10 chirality center, the ECD spectra of the C-10 epimers were near-identical, and hence it was only the VCD approach that showed distinct differences suitable for the configurational assignment. The chiroptical characterization of our diastereomeric pairs of NHC precursors enables the future application of related derivatives having different substitution patterns in stereoselective transformations.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk DFT calculations characteristic VCD transitions electronic circular dichroism conformational analysis NHC precursors
Megjelenés:	International Journal of Molecular Sciences. - 23 : 7 (2022), p. 1-12. -
További szerzők:	Paczal Attila Kovács Tibor (1990-) (vegyész) Mándi Attila (1981-) (vegyész, német szakfordító) Kotschy András Kurtán Tibor (1973-) (vegyész, angol szakfordító)
Pályázati támogatás:	K120181 OTKA K138672 OTKA FK134653 OTKA FIEK_16-1-2016-0005 Egyéb
Internet cím:	Szerző által megadott URL DOI Intézményi repozitóriumban (DEA) tárolt változat
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