FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022263142> ?p ?o ?g. }

• W2022263142 endingPage "2192" @default.
• W2022263142 startingPage "2192" @default.
• W2022263142 abstract "We have used four vibrational spectroscopies—FT-IR, FT-Raman, resonance Raman, and 57Fe nuclear resonance vibrational spectroscopy (NRVS)—to study the normal modes of the Fe–S cluster in [(n-Bu)4N]2[Fe4S4(SPh)4]. This [Fe4S4(SR)4]2− complex serves as a model for the clusters in 4Fe ferredoxins and high-potential iron proteins (HiPIPs). The IR spectra exhibited differences above and below the 243 K phase transition. Significant shifts with 36S substitution into the bridging S positions were also observed. The NRVS results were in good agreement with the low temperature data from the conventional spectroscopies.The NRVS spectra were interpreted by normal mode analysis using optimized Urey–Bradley force fields (UBFF) as well as from DFT theory. For the UBFF calculations, the parameters were refined by comparing calculated and observed NRVS frequencies and intensities. The frequency shifts after 36S substitution were used as an additional constraint. A D2d symmetry Fe4S4S′4 model could explain most of the observed frequencies, but a better match to the observed intensities was obtained when the ligand aromatic rings were included for a D2d Fe4S4(SPh)4 model. The best results were obtained using the low temperature structure without symmetry constraints. In addition to stretching and bending vibrations, low frequency modes between ∼50 and 100 cm−1 were observed. These modes, which have not been seen before, are interpreted as twisting motions with opposing sides of the cube rotating in opposite directions. In contrast with a recent paper on a related Fe4S4 cluster, we find no need to assign a large fraction of the low frequency NRVS intensity to ‘rotational lattice modes’. We also reassign the 430 cm−1 band as primarily an elongation of the thiophenolate ring, with ∼10% terminal Fe–S stretch character. This study illustrates the benefits of combining NRVS with conventional Raman and IR analysis for characterization of Fe–S centers. DFT theory is shown to provide remarkable agreement with the experimental NRVS data. These results provide a reference point for the analysis of more complex Fe–S clusters in proteins." @default.
• W2022263142 created "2016-06-24" @default.
• W2022263142 creator A5010505609 @default.
• W2022263142 creator A5012719992 @default.
• W2022263142 creator A5014694160 @default.
• W2022263142 creator A5060461431 @default.
• W2022263142 creator A5083402250 @default.
• W2022263142 creator A5087512728 @default.
• W2022263142 date "2006-01-01" @default.
• W2022263142 modified "2023-10-18" @default.
• W2022263142 title "Dynamics of an [Fe4S4(SPh)4]2? cluster explored via IR, Raman, and nuclear resonance vibrational spectroscopy (NRVS)-analysis using 36S substitution, DFT calculations, and empirical force fields" @default.
• W2022263142 cites W1538706632 @default.
• W2022263142 cites W1621165844 @default.
• W2022263142 cites W1967781652 @default.
• W2022263142 cites W1974511427 @default.
• W2022263142 cites W1977671794 @default.
• W2022263142 cites W1987218157 @default.
• W2022263142 cites W1988370868 @default.
• W2022263142 cites W2005212877 @default.
• W2022263142 cites W2012741217 @default.
• W2022263142 cites W2023466074 @default.
• W2022263142 cites W2032439607 @default.
• W2022263142 cites W2032622092 @default.
• W2022263142 cites W2039644207 @default.
• W2022263142 cites W2040626072 @default.
• W2022263142 cites W2041989278 @default.
• W2022263142 cites W2043802770 @default.
• W2022263142 cites W2047998182 @default.
• W2022263142 cites W2049961305 @default.
• W2022263142 cites W2051509289 @default.
• W2022263142 cites W2061484823 @default.
• W2022263142 cites W2073033790 @default.
• W2022263142 cites W2074489118 @default.
• W2022263142 cites W2084999482 @default.
• W2022263142 cites W2087052747 @default.
• W2022263142 cites W2091648090 @default.
• W2022263142 cites W2100394721 @default.
• W2022263142 cites W2136448591 @default.
• W2022263142 cites W2155293422 @default.
• W2022263142 cites W2165966788 @default.
• W2022263142 cites W2346553971 @default.
• W2022263142 cites W2413834421 @default.
• W2022263142 cites W3206606417 @default.
• W2022263142 doi "https://doi.org/10.1039/b513331a" @default.
• W2022263142 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16673033" @default.
• W2022263142 hasPublicationYear "2006" @default.
• W2022263142 type Work @default.
• W2022263142 sameAs 2022263142 @default.
• W2022263142 citedByCount "33" @default.
• W2022263142 countsByYear W20222631422012 @default.
• W2022263142 countsByYear W20222631422013 @default.
• W2022263142 countsByYear W20222631422015 @default.
• W2022263142 countsByYear W20222631422016 @default.
• W2022263142 countsByYear W20222631422018 @default.
• W2022263142 countsByYear W20222631422019 @default.
• W2022263142 countsByYear W20222631422022 @default.
• W2022263142 countsByYear W20222631422023 @default.
• W2022263142 crossrefType "journal-article" @default.
• W2022263142 hasAuthorship W2022263142A5010505609 @default.
• W2022263142 hasAuthorship W2022263142A5012719992 @default.
• W2022263142 hasAuthorship W2022263142A5014694160 @default.
• W2022263142 hasAuthorship W2022263142A5060461431 @default.
• W2022263142 hasAuthorship W2022263142A5083402250 @default.
• W2022263142 hasAuthorship W2022263142A5087512728 @default.
• W2022263142 hasConcept C120665830 @default.
• W2022263142 hasConcept C121332964 @default.
• W2022263142 hasConcept C139210041 @default.
• W2022263142 hasConcept C164866538 @default.
• W2022263142 hasConcept C178790620 @default.
• W2022263142 hasConcept C184779094 @default.
• W2022263142 hasConcept C185592680 @default.
• W2022263142 hasConcept C198394728 @default.
• W2022263142 hasConcept C199360897 @default.
• W2022263142 hasConcept C24123453 @default.
• W2022263142 hasConcept C2781340169 @default.
• W2022263142 hasConcept C32758168 @default.
• W2022263142 hasConcept C32909587 @default.
• W2022263142 hasConcept C40003534 @default.
• W2022263142 hasConcept C41008148 @default.
• W2022263142 hasConcept C41999313 @default.
• W2022263142 hasConcept C62520636 @default.
• W2022263142 hasConcept C8010536 @default.
• W2022263142 hasConceptScore W2022263142C120665830 @default.
• W2022263142 hasConceptScore W2022263142C121332964 @default.
• W2022263142 hasConceptScore W2022263142C139210041 @default.
• W2022263142 hasConceptScore W2022263142C164866538 @default.
• W2022263142 hasConceptScore W2022263142C178790620 @default.
• W2022263142 hasConceptScore W2022263142C184779094 @default.
• W2022263142 hasConceptScore W2022263142C185592680 @default.
• W2022263142 hasConceptScore W2022263142C198394728 @default.
• W2022263142 hasConceptScore W2022263142C199360897 @default.
• W2022263142 hasConceptScore W2022263142C24123453 @default.
• W2022263142 hasConceptScore W2022263142C2781340169 @default.
• W2022263142 hasConceptScore W2022263142C32758168 @default.
• W2022263142 hasConceptScore W2022263142C32909587 @default.
• W2022263142 hasConceptScore W2022263142C40003534 @default.
• W2022263142 hasConceptScore W2022263142C41008148 @default.
• W2022263142 hasConceptScore W2022263142C41999313 @default.

• next