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Volumn 45, Issue 5, 2006, Pages 2027-2037

Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): A tale of two fluoro complexes

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; FLUORINE; IRON; LIGAND;

EID: 33645095721     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic051823y     Document Type: Article
Times cited : (36)

References (66)
  • 39
    • 33645086949 scopus 로고    scopus 로고
    • note
    • The variable-temperature Mössbauer spectra are given in the Supporting Information.
  • 49
    • 0001175609 scopus 로고
    • Lever, A. B. P., Gray, H. B., Eds.; VCH: Weinheim, Germany
    • Debrunner, P. G. In Iron Porphyrins Part III; Lever, A. B. P., Gray, H. B., Eds.; VCH: Weinheim, Germany, 1989; Vol. III, p 137.
    • (1989) Iron Porphyrins Part III , vol.3 , pp. 137
    • Debrunner, P.G.1
  • 50
    • 33645091704 scopus 로고    scopus 로고
    • note
    • It should be mentioned that the solid-state structure of 1 does contain M-N-H⋯S hydrogen bonds similar to those described by Meyerstein, but before the physical measurements were made (i.e., susceptibility or Mössbauer measurements), the sample was crushed and the interstitial solvent was removed in vacuo. Proof of this is seen in the elemental analysis of 1, in which no solvent of methanol is found.
  • 51
    • 33645058503 scopus 로고    scopus 로고
    • note
    • + species are monoanions, the solvation energy is expected to be significantly lower.
  • 52
    • 33645076335 scopus 로고    scopus 로고
    • note
    • Although hydrogen atoms were placed in calculated positions in the crystal structure, geometry optimization by DFT leaves these hydrogen atoms near the positions found in the structure. Also, a close H⋯H contact of 2.35 Å is apparent on the other side of the molecule. The van der Waals radii of H and F are 1.20 and 1.47 Å, respectively.
  • 53
    • 33645053590 scopus 로고    scopus 로고
    • note
    • It should also be mentioned that the difference in the calculated Fe-N distances could also be due to the systematic overestimation of the Fe-N bond distances in the methylated complex.
  • 54
    • 33645093530 scopus 로고    scopus 로고
    • note
    • a values measured in solution.
  • 56
    • 33645086464 scopus 로고    scopus 로고
    • Bruker Analytical X-ray Systems, Inc.: Madison, WI
    • SMART, version 5.618; Bruker Analytical X-ray Systems, Inc.: Madison, WI, 1998.
    • (1998) SMART, Version 5.618
  • 57
    • 0003587328 scopus 로고    scopus 로고
    • Bruker Analytical X-ray Systems, Inc.: Madison, WI
    • SAINTPLUS, version 6.45A; Bruker Analytical X-ray Systems, Inc.: Madison, WI, 1998.
    • (1998) SAINTPLUS, Version 6.45A
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    • University of Göttingen: Göttingen, Germany
    • Sheldrick, G. M. SHELXTL97; University of Göttingen: Göttingen, Germany, 1997.
    • (1997) SHELXTL97
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.