FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4378695279> ?p ?o ?g. }

• W4378695279 abstract "A family of five- and six-coordinated Fe-porphyrins which enable us to scrutinize the effects of non-covalent interactions on the out-of-plane displacement of iron and its spin-states and axial ligand orientation in a single distorted macrocyclic environment has been reported. Combined analysis using single-crystal X-ray structure determination and EPR spectral investigation revealed the stabilization of the high-spin state of iron in the five-coordinate complex FeIII(TPPBr8)(OCHMe2), while six-coordinate complexes [FeIII(TPPBr8)(MeOH)2]ClO4, [FeIII(TPPBr8)(H2O)2]ClO4 and [FeIII(TPPBr8)(1-MeIm)2]ClO4 stabilize admixed-high, admixed-intermediate and low-spin states, respectively. The H-bonding interactions between the weak axial H2O/MeOH and perchlorate anion resulted in an elongation of the Fe-O bond which eventually shortened the Fe-N(por) distances leading to the stabilization of the admixed spin state of iron which, otherwise, stabilizes the high-spin (S = 5/2) state only. In addition, the iron atom in [FeIII(TPPBr8)(H2O)2]ClO4 is displaced by 0.02 Å towards one of the water molecules engaged in the H-bonding interactions leading to two different Fe-O (H2O) distances of 2.098(8) and 2.122(9) Å. In contrast, iron in [FeIII(TPPBr8)(MeOH)2]ClO4 sits on the plane of the porphyrin since both the axial methanol units are engaged in similar H-bonding interactions with the ClO4- ion. Moreover, the X-ray structure of low-spin FeII(TPPBr8)(1-MeIm)2 revealed a dihedral angle of 63.0° between two imidazoles which deviates largely from the expected angle of 90° (perpendicular orientations) since the axial imidazole protons are engaged in strong intermolecular C-H⋯π interactions which thereby restrict the axial ligand movement. The complex also displays the shortest Fe-N(1-MeIm) bond along with smallest dihedral angles of 7.8° and 22.4° between the axial imidazole ring and the closest Fe-Np axis due to strong π-interactions between iron and the axial imidazole ligand. Our work highlights the influence of non-covalent interactions on the out-of-plane displacement and spin state of iron and axial ligand orientations which are indeed important steps in the functioning of various hemoproteins." @default.
• W4378695279 created "2023-05-30" @default.
• W4378695279 creator A5044567213 @default.
• W4378695279 creator A5056396186 @default.
• W4378695279 creator A5066004052 @default.
• W4378695279 creator A5068969801 @default.
• W4378695279 creator A5086601022 @default.
• W4378695279 creator A5088458847 @default.
• W4378695279 date "2023-01-01" @default.
• W4378695279 modified "2023-10-10" @default.
• W4378695279 title "Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins" @default.
• W4378695279 cites W1512775211 @default.
• W4378695279 cites W1720991284 @default.
• W4378695279 cites W1764465661 @default.
• W4378695279 cites W1967852679 @default.
• W4378695279 cites W1977734848 @default.
• W4378695279 cites W1978092591 @default.
• W4378695279 cites W1981995715 @default.
• W4378695279 cites W1987845547 @default.
• W4378695279 cites W1991056884 @default.
• W4378695279 cites W1991594337 @default.
• W4378695279 cites W1992305856 @default.
• W4378695279 cites W1992864322 @default.
• W4378695279 cites W1994730014 @default.
• W4378695279 cites W1994887179 @default.
• W4378695279 cites W1997631064 @default.
• W4378695279 cites W2000270075 @default.
• W4378695279 cites W2004922260 @default.
• W4378695279 cites W2006642056 @default.
• W4378695279 cites W2008987106 @default.
• W4378695279 cites W2010995377 @default.
• W4378695279 cites W2019787060 @default.
• W4378695279 cites W2020023612 @default.
• W4378695279 cites W2023271753 @default.
• W4378695279 cites W2024049191 @default.
• W4378695279 cites W2026919377 @default.
• W4378695279 cites W2028514569 @default.
• W4378695279 cites W2034937356 @default.
• W4378695279 cites W2037529553 @default.
• W4378695279 cites W2038179420 @default.
• W4378695279 cites W2042357904 @default.
• W4378695279 cites W2057960152 @default.
• W4378695279 cites W2060828547 @default.
• W4378695279 cites W2068520033 @default.
• W4378695279 cites W2073451630 @default.
• W4378695279 cites W2076388181 @default.
• W4378695279 cites W2077621515 @default.
• W4378695279 cites W2078740902 @default.
• W4378695279 cites W2084139543 @default.
• W4378695279 cites W2088135902 @default.
• W4378695279 cites W2089737342 @default.
• W4378695279 cites W2090862534 @default.
• W4378695279 cites W2090914724 @default.
• W4378695279 cites W2091897848 @default.
• W4378695279 cites W2101313944 @default.
• W4378695279 cites W2115112615 @default.
• W4378695279 cites W2130271590 @default.
• W4378695279 cites W2131214655 @default.
• W4378695279 cites W2132426852 @default.
• W4378695279 cites W2143981217 @default.
• W4378695279 cites W2144860443 @default.
• W4378695279 cites W2147539161 @default.
• W4378695279 cites W2152113373 @default.
• W4378695279 cites W2158932765 @default.
• W4378695279 cites W2166344128 @default.
• W4378695279 cites W2166689829 @default.
• W4378695279 cites W2171093931 @default.
• W4378695279 cites W2262253939 @default.
• W4378695279 cites W2313685026 @default.
• W4378695279 cites W2399841482 @default.
• W4378695279 cites W2407259646 @default.
• W4378695279 cites W2421346213 @default.
• W4378695279 cites W2442264004 @default.
• W4378695279 cites W2507406702 @default.
• W4378695279 cites W2523170807 @default.
• W4378695279 cites W2524151452 @default.
• W4378695279 cites W2558325120 @default.
• W4378695279 cites W2762524958 @default.
• W4378695279 cites W2796836628 @default.
• W4378695279 cites W2807290415 @default.
• W4378695279 cites W2841915188 @default.
• W4378695279 cites W2888876639 @default.
• W4378695279 cites W2890585203 @default.
• W4378695279 cites W2911541567 @default.
• W4378695279 cites W2911700253 @default.
• W4378695279 cites W2916845153 @default.
• W4378695279 cites W2929594369 @default.
• W4378695279 cites W2945124461 @default.
• W4378695279 cites W2951719015 @default.
• W4378695279 cites W2952831323 @default.
• W4378695279 cites W3093180543 @default.
• W4378695279 cites W3124240909 @default.
• W4378695279 cites W3158937075 @default.
• W4378695279 cites W3185566824 @default.
• W4378695279 cites W4234935387 @default.
• W4378695279 cites W4240544273 @default.
• W4378695279 cites W4248144747 @default.
• W4378695279 cites W4291130994 @default.
• W4378695279 doi "https://doi.org/10.1039/d3dt00846k" @default.
• W4378695279 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37337883" @default.

• next