FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2078171437> ?p ?o ?g. }

• W2078171437 endingPage "6314" @default.
• W2078171437 startingPage "6297" @default.
• W2078171437 abstract "X-ray absorption Fe−K edge data on ferrous and ferric model complexes have been studied to establish a detailed understanding of the 1s → 3d pre-edge feature and its sensitivity to the electronic structure of the iron site. The energy position and splitting, and intensity distribution, of the pre-edge feature were found to vary systematically with spin state, oxidation state, geometry, and bridging ligation (for binuclear complexes). A methodology for interpreting the energy splitting and intensity distribution of the 1s → 3d pre-edge features was developed for high-spin ferrous and ferric complexes in octahedral, tetrahedral, and square pyramidal environments and low-spin ferrous and ferric complexes in octahedral environments. In each case, the allowable many-electron excited states were determined using ligand field theory. The energies of the excited states were calculated and compared to the energy splitting in the 1s → 3d pre-edge features. The relative intensities of electric quadrupole transitions into the many-electron excited states were obtained and compared to the intensity pattern of the pre-edge feature. The effects of distorting the octahedral iron site to tetrahedral and square pyramidal geometries were analyzed. The contributions to the pre-edge intensity from both electric quadrupole and electric dipole (from 3d−4p mixing) intensity mechanisms were established for these distorted cases; the amount of 4p character and its distribution over the many-electron final states were experimentally estimated and compared to theoretical predictions from density functional calculations. The methodology was also applied to binuclear complexes, and a clear marker for the presence of a μ-oxo Fe−O−Fe bridge was established. General trends in 3d−4p mixing are developed and discussed for a series of geometries and oxidation states of Fe complexes. The results presented should further aid in the interpretation of the 1s → 3d pre-edge region of iron complexes and non-heme iron enzymes." @default.
• W2078171437 created "2016-06-24" @default.
• W2078171437 creator A5007431420 @default.
• W2078171437 creator A5014518485 @default.
• W2078171437 creator A5024342453 @default.
• W2078171437 creator A5024395993 @default.
• W2078171437 creator A5070204678 @default.
• W2078171437 creator A5072260476 @default.
• W2078171437 date "1997-07-01" @default.
• W2078171437 modified "2023-10-01" @default.
• W2078171437 title "A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes" @default.
• W2078171437 cites W1618038277 @default.
• W2078171437 cites W1966440289 @default.
• W2078171437 cites W1973703837 @default.
• W2078171437 cites W1974925254 @default.
• W2078171437 cites W1975675322 @default.
• W2078171437 cites W1976092510 @default.
• W2078171437 cites W1978204404 @default.
• W2078171437 cites W1978805924 @default.
• W2078171437 cites W1983509942 @default.
• W2078171437 cites W1987647041 @default.
• W2078171437 cites W1987985853 @default.
• W2078171437 cites W1988080796 @default.
• W2078171437 cites W1988907002 @default.
• W2078171437 cites W1989019120 @default.
• W2078171437 cites W1990223180 @default.
• W2078171437 cites W1990853842 @default.
• W2078171437 cites W1995485797 @default.
• W2078171437 cites W1998124636 @default.
• W2078171437 cites W1998385205 @default.
• W2078171437 cites W2001700577 @default.
• W2078171437 cites W2002237372 @default.
• W2078171437 cites W2003850596 @default.
• W2078171437 cites W2004962085 @default.
• W2078171437 cites W2006526804 @default.
• W2078171437 cites W2012305003 @default.
• W2078171437 cites W2014171779 @default.
• W2078171437 cites W2014966142 @default.
• W2078171437 cites W2020399106 @default.
• W2078171437 cites W2024394329 @default.
• W2078171437 cites W2027999474 @default.
• W2078171437 cites W2028658194 @default.
• W2078171437 cites W2028980161 @default.
• W2078171437 cites W2030687437 @default.
• W2078171437 cites W2033846217 @default.
• W2078171437 cites W2036342654 @default.
• W2078171437 cites W2038533471 @default.
• W2078171437 cites W2038785115 @default.
• W2078171437 cites W2039550849 @default.
• W2078171437 cites W2040891489 @default.
• W2078171437 cites W2041751746 @default.
• W2078171437 cites W2042865863 @default.
• W2078171437 cites W2043858812 @default.
• W2078171437 cites W2047216667 @default.
• W2078171437 cites W2050185269 @default.
• W2078171437 cites W2051729024 @default.
• W2078171437 cites W2058719700 @default.
• W2078171437 cites W2060884603 @default.
• W2078171437 cites W2061754927 @default.
• W2078171437 cites W2062579139 @default.
• W2078171437 cites W2064877468 @default.
• W2078171437 cites W2065921399 @default.
• W2078171437 cites W2068188118 @default.
• W2078171437 cites W2068523719 @default.
• W2078171437 cites W2070766403 @default.
• W2078171437 cites W2071129190 @default.
• W2078171437 cites W2071541457 @default.
• W2078171437 cites W2073262960 @default.
• W2078171437 cites W2076368389 @default.
• W2078171437 cites W2079658152 @default.
• W2078171437 cites W2081901819 @default.
• W2078171437 cites W2083993046 @default.
• W2078171437 cites W2085265246 @default.
• W2078171437 cites W2086922368 @default.
• W2078171437 cites W2086957099 @default.
• W2078171437 cites W2088999704 @default.
• W2078171437 cites W2092711337 @default.
• W2078171437 cites W2095111473 @default.
• W2078171437 cites W2100900378 @default.
• W2078171437 cites W2120104062 @default.
• W2078171437 cites W2126311523 @default.
• W2078171437 cites W2145956196 @default.
• W2078171437 cites W2157834522 @default.
• W2078171437 cites W2246117730 @default.
• W2078171437 cites W2313850050 @default.
• W2078171437 cites W2323995703 @default.
• W2078171437 cites W2327542863 @default.
• W2078171437 cites W2334407485 @default.
• W2078171437 cites W2471642542 @default.
• W2078171437 cites W2949953153 @default.
• W2078171437 cites W2953063506 @default.
• W2078171437 cites W3036723969 @default.
• W2078171437 cites W4214939103 @default.
• W2078171437 doi "https://doi.org/10.1021/ja964352a" @default.
• W2078171437 hasPublicationYear "1997" @default.
• W2078171437 type Work @default.
• W2078171437 sameAs 2078171437 @default.
• W2078171437 citedByCount "1182" @default.

• next