SemOpenAlex |

SemOpenAlex

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2012736978> ?p ?o ?g. }

Showing items 1 to 100 of ±124 with 100 items per page.

W2012736978 endingPage "6936" @default.
W2012736978 startingPage "6927" @default.
W2012736978 abstract "Detailed Fe vibrational spectra have been obtained for the heme model complex [Fe(TPP)(CO)(1-MeIm)] using a new, highly selective and quantitative technique, Nuclear Resonance Vibrational Spectroscopy (NRVS). This spectroscopy measures the complete vibrational density of states for iron atoms, from which normal modes can be calculated via refinement of the force constants. These data and mode assignments can reveal previously undetected vibrations and are useful for validating predictions based on optical spectroscopies and density functional theory, for example. Vibrational modes of the iron porphyrin-imidazole compound [Fe(TPP)(CO)(1-MeIm)] have been determined by refining normal mode calculations to NRVS data obtained at an X-ray synchrotron source. Iron dynamics of this compound, which serves as a useful model for the active site in the six-coordinate heme protein, carbonmonoxy-myoglobin, are discussed in relation to recently determined dynamics of a five-coordinate deoxy-myoglobin model, [Fe(TPP)(2-MeHIm)]. For the first time in a six-coordinate heme system, the iron-imidazole stretch mode has been observed, at 226 cm(-)(1). The heme in-plane modes with large contributions from the nu(42), nu(49), nu(50), and nu(53) modes of the core porphyrin are identified. In general, the iron modes can be attributed to coupling with the porphyrin core, the CO ligand, the imidazole ring, and/or the phenyl rings. Other significant findings are the observation that the porphyrin ring peripheral substituents are strongly coupled to the iron doming mode and that the Fe-C-O tilting and bending modes are related by a negative interaction force constant." @default.
W2012736978 created "2016-06-24" @default.
W2012736978 creator A5005849013 @default.
W2012736978 creator A5007416721 @default.
W2012736978 creator A5011160176 @default.
W2012736978 creator A5016476989 @default.
W2012736978 creator A5032625797 @default.
W2012736978 creator A5035115602 @default.
W2012736978 creator A5037246628 @default.
W2012736978 creator A5066140842 @default.
W2012736978 creator A5075415757 @default.
W2012736978 date "2003-05-15" @default.
W2012736978 modified "2023-10-02" @default.
W2012736978 title "Direct Determination of the Complete Set of Iron Normal Modes in a Porphyrin-Imidazole Model for Carbonmonoxy-heme Proteins: [Fe(TPP)(CO)(1-MeIm)]" @default.
W2012736978 cites W1538706632 @default.
W2012736978 cites W1995783014 @default.
W2012736978 cites W1996368137 @default.
W2012736978 cites W2010466694 @default.
W2012736978 cites W2012741217 @default.
W2012736978 cites W2019688079 @default.
W2012736978 cites W2025012109 @default.
W2012736978 cites W2026911129 @default.
W2012736978 cites W2032300748 @default.
W2012736978 cites W2032704428 @default.
W2012736978 cites W2035163326 @default.
W2012736978 cites W2036509420 @default.
W2012736978 cites W2037621816 @default.
W2012736978 cites W2044866035 @default.
W2012736978 cites W2049961305 @default.
W2012736978 cites W2057661608 @default.
W2012736978 cites W2059320007 @default.
W2012736978 cites W2065665800 @default.
W2012736978 cites W2074283904 @default.
W2012736978 cites W2079083828 @default.
W2012736978 cites W2081055809 @default.
W2012736978 cites W2084407893 @default.
W2012736978 cites W2085406451 @default.
W2012736978 cites W2091157709 @default.
W2012736978 cites W2093498505 @default.
W2012736978 cites W2094037735 @default.
W2012736978 cites W2098819169 @default.
W2012736978 cites W2146347515 @default.
W2012736978 cites W2274848879 @default.
W2012736978 cites W2333065922 @default.
W2012736978 cites W2949880094 @default.
W2012736978 cites W4237366130 @default.
W2012736978 doi "https://doi.org/10.1021/ja028219w" @default.
W2012736978 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12783545" @default.
W2012736978 hasPublicationYear "2003" @default.
W2012736978 type Work @default.
W2012736978 sameAs 2012736978 @default.
W2012736978 citedByCount "50" @default.
W2012736978 countsByYear W20127369782012 @default.
W2012736978 countsByYear W20127369782013 @default.
W2012736978 countsByYear W20127369782014 @default.
W2012736978 countsByYear W20127369782015 @default.
W2012736978 countsByYear W20127369782017 @default.
W2012736978 countsByYear W20127369782018 @default.
W2012736978 countsByYear W20127369782021 @default.
W2012736978 countsByYear W20127369782023 @default.
W2012736978 crossrefType "journal-article" @default.
W2012736978 hasAuthorship W2012736978A5005849013 @default.
W2012736978 hasAuthorship W2012736978A5007416721 @default.
W2012736978 hasAuthorship W2012736978A5011160176 @default.
W2012736978 hasAuthorship W2012736978A5016476989 @default.
W2012736978 hasAuthorship W2012736978A5032625797 @default.
W2012736978 hasAuthorship W2012736978A5035115602 @default.
W2012736978 hasAuthorship W2012736978A5037246628 @default.
W2012736978 hasAuthorship W2012736978A5066140842 @default.
W2012736978 hasAuthorship W2012736978A5075415757 @default.
W2012736978 hasConcept C116569031 @default.
W2012736978 hasConcept C147597530 @default.
W2012736978 hasConcept C170493617 @default.
W2012736978 hasConcept C178790620 @default.
W2012736978 hasConcept C181199279 @default.
W2012736978 hasConcept C185592680 @default.
W2012736978 hasConcept C20705724 @default.
W2012736978 hasConcept C2776217839 @default.
W2012736978 hasConcept C2778063876 @default.
W2012736978 hasConcept C2779480358 @default.
W2012736978 hasConcept C2780378348 @default.
W2012736978 hasConcept C2780874372 @default.
W2012736978 hasConcept C55493867 @default.
W2012736978 hasConcept C71240020 @default.
W2012736978 hasConcept C75473681 @default.
W2012736978 hasConcept C8010536 @default.
W2012736978 hasConceptScore W2012736978C116569031 @default.
W2012736978 hasConceptScore W2012736978C147597530 @default.
W2012736978 hasConceptScore W2012736978C170493617 @default.
W2012736978 hasConceptScore W2012736978C178790620 @default.
W2012736978 hasConceptScore W2012736978C181199279 @default.
W2012736978 hasConceptScore W2012736978C185592680 @default.
W2012736978 hasConceptScore W2012736978C20705724 @default.
W2012736978 hasConceptScore W2012736978C2776217839 @default.
W2012736978 hasConceptScore W2012736978C2778063876 @default.
W2012736978 hasConceptScore W2012736978C2779480358 @default.
W2012736978 hasConceptScore W2012736978C2780378348 @default.
W2012736978 hasConceptScore W2012736978C2780874372 @default.