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Volumn 129, Issue 16, 2007, Pages 5153-5166

Large ground-state entropy changes for hydrogen atom transfer reactions of iron complexes

Author keywords

[No Author keywords available]

Indexed keywords

HYDROXYLAMINE; PROTON COUPLED ELECTRON TRANSFER (PCET); SOLVENT EFFECTS; TRANSITION METAL CENTERS;

EID: 34247515508     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0686918     Document Type: Article
Times cited : (128)

References (174)
  • 1
    • 34247504798 scopus 로고    scopus 로고
    • Ingold, K. U. In Free Radicals; Kochi. J. K.. Ed.; Wiley: New York, 1973; 1. Chapter 2, p 67ff;
    • (a) Ingold, K. U. In Free Radicals; Kochi. J. K.. Ed.; Wiley: New York, 1973; Vol. 1. Chapter 2, p 67ff;
  • 2
    • 0000544340 scopus 로고
    • Kochi, J. K, Ed, Wiley: New York, Chapter 7, pp
    • Russell, G. A. In Free Radicals; Kochi, J. K., Ed.; Wiley: New York, 1973; Vol. 1, Chapter 7, pp 275-331;
    • (1973) Free Radicals , vol.1 , pp. 275-331
    • Russell, G.A.1
  • 3
    • 0000544337 scopus 로고
    • Kochi. J. K, Ed, Wiley: New York, Chapter 17, pp
    • O'Neal, H.; Benson, S. W. In Free Radicals: Kochi. J. K., Ed.; Wiley: New York, 1973; Vol. 2, Chapter 17, pp 275-359.
    • (1973) Free Radicals , vol.2 , pp. 275-359
    • O'Neal, H.1    Benson, S.W.2
  • 4
    • 34247474534 scopus 로고    scopus 로고
    • Radical Reaction Rates in Liquids, Landolt-Börnstein New Series: Fischer, H., Ed.; Springer-Verlag: Berlin, 1984; 13, Subvols. a-e;
    • (b) Radical Reaction Rates in Liquids, Landolt-Börnstein New Series: Fischer, H., Ed.; Springer-Verlag: Berlin, 1984; Vol. 13, Subvols. a-e;
  • 5
    • 34247501890 scopus 로고
    • Radical Reaction Rates in Liquids, Landolt-Börnstein New
    • Fischer. H, Ed, Springer-Verlag: Berlin, Subvols. A-E
    • Radical Reaction Rates in Liquids, Landolt-Börnstein New Series; Fischer. H., Ed.; Springer-Verlag: Berlin. 1994; Vol. 18, Subvols. A-E.
    • (1994) Series , vol.18
  • 11
    • 0003408433 scopus 로고
    • Foote, C. S, Valentine, J. S, Liebman, J, Greenberg. A, Eds, Blackie, Chapman and Hall: Glasgow
    • (h) Active Oxygen in Chemistry; Foote, C. S., Valentine, J. S., Liebman, J., Greenberg. A., Eds.; Blackie, Chapman and Hall: Glasgow, 1995.
    • (1995) Active Oxygen in Chemistry
  • 26
    • 34247466737 scopus 로고    scopus 로고
    • Molecular Bioenergetlcs
    • American Chemical Society: Washington, DC
    • (f) Cukier, R. I. Molecular Bioenergetlcs; ACS Symposium Series 883; American Chemical Society: Washington, DC, 2004; pp 145-158.
    • (2004) ACS Symposium Series , vol.883 , pp. 145-158
    • Cukier, R.I.1
  • 48
    • 33748630485 scopus 로고    scopus 로고
    • (a) Ragsdale, S. W. Chem. Rev. 2006, 106, 3317-3337.
    • (2006) Chem. Rev , vol.106 , pp. 3317-3337
    • Ragsdale, S.W.1
  • 52
    • 34247497886 scopus 로고    scopus 로고
    • Knox, J. H. Rate Constants in the Gas-Phase Oxidation of Alkanes and Alkyl Radicals. In Oxidation of Organic Compounds; Mayo, F. R., Ed.; Advances in Chemistry Series 76 (II); American Chemical Society: Washington, DC. 1968; pp 1-22.
    • (b) Knox, J. H. Rate Constants in the Gas-Phase Oxidation of Alkanes and Alkyl Radicals. In Oxidation of Organic Compounds; Mayo, F. R., Ed.; Advances in Chemistry Series 76 (II); American Chemical Society: Washington, DC. 1968; pp 1-22.
  • 53
    • 34247526601 scopus 로고    scopus 로고
    • References 1a,d,e
    • (c) References 1a,d,e.
  • 54
    • 34247488975 scopus 로고    scopus 로고
    • Equation 2 is not limited to standard states: therefore. ΔH rather than ΔH° is used. Bond dissociation energies are ΔH° values and are defined at 298 K and I atm (gas-phase BDEs) or unit activity standard state ([assumed I M] for solution BDEs).
    • Equation 2 is not limited to standard states: therefore. ΔH rather than ΔH° is used. Bond dissociation energies are ΔH° values and are defined at 298 K and I atm (gas-phase BDEs) or unit activity standard state ([assumed I M] for solution BDEs).
  • 65
    • 34247505267 scopus 로고    scopus 로고
    • Reference 11a
    • (i) Reference 11a.
  • 70
    • 0001753905 scopus 로고    scopus 로고
    • Wiberg, K. B.; Foster, G. J. Am. Chem. Soc. 1961, 83, 423-429; thermochemical cycle is on p 425.
    • (a) Wiberg, K. B.; Foster, G. J. Am. Chem. Soc. 1961, 83, 423-429; thermochemical cycle is on p 425.
  • 73
    • 0001413712 scopus 로고    scopus 로고
    • Leading references: (a) Bordwell, F. G.; Cheng, J.-P.; Ji, G.-Z.; Satish, A. V.; Zhang, X. J. Am. Chem. Soc. 1991, 113, 9790-9795.
    • Leading references: (a) Bordwell, F. G.; Cheng, J.-P.; Ji, G.-Z.; Satish, A. V.; Zhang, X. J. Am. Chem. Soc. 1991, 113, 9790-9795.
  • 77
    • 0032053614 scopus 로고    scopus 로고
    • A subset of the references in this area are: (a) Anne, A.; Fraoua, S.; Grass, V.; Moiroux, J.; Savéant, J.-M. J. Am. Chem. Soc. 1998, 120, 2951-2958.
    • A subset of the references in this area are: (a) Anne, A.; Fraoua, S.; Grass, V.; Moiroux, J.; Savéant, J.-M. J. Am. Chem. Soc. 1998, 120, 2951-2958.
  • 80
    • 0001369803 scopus 로고    scopus 로고
    • A subset of the references using BDEs are: (a) Parker, V. D.; Handoo, K. L.; Roness, F.; Tilset, M. J. Am. Chem. Soc. 1991, 113, 7493-7498.
    • A subset of the references using BDEs are: (a) Parker, V. D.; Handoo, K. L.; Roness, F.; Tilset, M. J. Am. Chem. Soc. 1991, 113, 7493-7498.
  • 90
    • 34247548508 scopus 로고    scopus 로고
    • Reference 61b
    • (k) Reference 61b.
  • 94
    • 28444472448 scopus 로고    scopus 로고
    • For a few studies using BDFEs, see: a, and references therein
    • For a few studies using BDFEs, see: (a) Fu, X.; Wayland, B. B. J. Am. Chem. Soc. 2005, 127, 16460-16467 and references therein.
    • (2005) J. Am. Chem. Soc , vol.127 , pp. 16460-16467
    • Fu, X.1    Wayland, B.B.2
  • 105
    • 34247497440 scopus 로고    scopus 로고
    • Sunatsuki, Y.; Ohta, H.; Kojima, M.; lkuta, Y.; Goto, Y.; Matsumoto. N.; Iijima, S.; Akashi, H.; Kaizaki, S.; Dahan. F.; Tuchagues, J.-P. Inorg. Chem. 2004, 43, 4154-4171.
    • (a) Sunatsuki, Y.; Ohta, H.; Kojima, M.; lkuta, Y.; Goto, Y.; Matsumoto. N.; Iijima, S.; Akashi, H.; Kaizaki, S.; Dahan. F.; Tuchagues, J.-P. Inorg. Chem. 2004, 43, 4154-4171.
  • 111
    • 34247502955 scopus 로고    scopus 로고
    • Matheson, I. B. C. RSM-1000 Global Fit Software, version 6.3.8; On-Line Instrument Systems Olis, Inc, Bogart, GA, 1998
    • Matheson, I. B. C. RSM-1000 Global Fit Software, version 6.3.8; On-Line Instrument Systems (Olis), Inc.: Bogart, GA, 1998.
  • 113
    • 34247479193 scopus 로고    scopus 로고
    • SPECFIT/32, versions v3.0.26 and v3.0.36; Spectrum Software Associates: Marlbourough. MA, 2000.
    • SPECFIT/32, versions v3.0.26 and v3.0.36; Spectrum Software Associates: Marlbourough. MA, 2000.
  • 115
    • 0034354030 scopus 로고    scopus 로고
    • 2, and acetone but is significant in a wider range of solvents: Glowacka, J.; Szczepek, W. J.; Wrona, P. K. Pol. J. Chem. 2000, 74, 1341-1348.
    • 2, and acetone but is significant in a wider range of solvents: Glowacka, J.; Szczepek, W. J.; Wrona, P. K. Pol. J. Chem. 2000, 74, 1341-1348.
  • 116
    • 0001285778 scopus 로고    scopus 로고
    • Our measurements of the [CpCp*Fe, λmax and ε are close to previous reports: (a) Nelsen, S. F, Chen, L.-J, Ramm, M. T, Voy, G. T, Powell, D. R, Accola, M. A, Seehafer, T. R, Sabelko, J. J, Pladziewicz, J. R. J. Org. Chem. 1996, 61, 1405-1412
    • + λmax and ε are close to previous reports: (a) Nelsen, S. F.; Chen, L.-J.; Ramm, M. T.; Voy, G. T.; Powell, D. R.: Accola, M. A.; Seehafer, T. R.; Sabelko, J. J.; Pladziewicz, J. R. J. Org. Chem. 1996, 61, 1405-1412.
  • 120
    • 34247538145 scopus 로고    scopus 로고
    • 4 versus ferrocene.
    • 4 versus ferrocene.
  • 122
    • 34247516630 scopus 로고    scopus 로고
    • -1.
    • -1.
  • 123
    • 34247510361 scopus 로고    scopus 로고
    • NIST Chemistry WebBook. NIST Standard Reference Database Number 69. http://webbook.nist.gov/chemistry/ (March 2003 release).
    • NIST Chemistry WebBook. NIST Standard Reference Database Number 69. http://webbook.nist.gov/chemistry/ (March 2003 release).
  • 124
    • 34247549855 scopus 로고    scopus 로고
    • Burcat, A.; Ruscic, B. TAE Report No. 960. Technion: Haifa, Israel, 2005; see also ftp://ftp.technion.ac.il/pub/supported/aetdd/thermodynamics.
    • Burcat, A.; Ruscic, B. TAE Report No. 960. Technion: Haifa, Israel, 2005; see also ftp://ftp.technion.ac.il/pub/supported/aetdd/thermodynamics.
  • 129
    • 34247473599 scopus 로고    scopus 로고
    • solvation[AH-A•].
    • solvation[AH-A•].
  • 139
    • 34247497441 scopus 로고    scopus 로고
    • This is a factor of 1/15 in equilibrium constant due to the fifteen-fold degeneracy of the 5T2g state. Any splitting of the states from lower than Oh symmetry or from spin-orbit coupling would reduce ΔS°elec
    • elec.
  • 160
    • 15744383667 scopus 로고    scopus 로고
    • Complications in determining gas-phase energetics from cycles like Scheme 2 arise when A-H is a strong hydrogen bond donor and significant hydrogen bonding to solvent is present. Leading references include: (a) Mulder, P.; Korth, H.-G.; Pratt, D. A.; DiLabio, G. A.; Valgimigli, L.; Pedulli, G. F.; Ingold, K. U. J. Phys. Chem. A 2005, 109, 2647-2655.
    • Complications in determining gas-phase energetics from cycles like Scheme 2 arise when A-H is a strong hydrogen bond donor and significant hydrogen bonding to solvent is present. Leading references include: (a) Mulder, P.; Korth, H.-G.; Pratt, D. A.; DiLabio, G. A.; Valgimigli, L.; Pedulli, G. F.; Ingold, K. U. J. Phys. Chem. A 2005, 109, 2647-2655.
  • 162
    • 84955412630 scopus 로고    scopus 로고
    • An excellent discussion on the derivation of CG, and CH is provided in (a) Tilset, M. The Thermodynamics of Organometallic Systems Involving Electron-Transfer Paths. In Electron Transfer in Chemistry; Balzani, V, Ed, Wiley-VCH: New York, 2001, 2, pp 677-713
    • H is provided in (a) Tilset, M. The Thermodynamics of Organometallic Systems Involving Electron-Transfer Paths. In Electron Transfer in Chemistry; Balzani, V., Ed.; Wiley-VCH: New York, 2001, Vol. 2, pp 677-713.
  • 164
    • 34247529639 scopus 로고    scopus 로고
    • -1; NIST Chemistry WebBook. NIST Standard Reference Database 69. http://webbook.nist.gov/chemistry/ (June 2005 release),
    • -1; NIST Chemistry WebBook. NIST Standard Reference Database 69. http://webbook.nist.gov/chemistry/ (June 2005 release),
  • 165
    • 34247482520 scopus 로고    scopus 로고
    • 2 in the same solvent; see: Roduner, E.; Bartels, D. M. Ber. Bunsen-Ges. Phys. Chem. 1992, 96, 1037-1042.
    • 2 in the same solvent; see: Roduner, E.; Bartels, D. M. Ber. Bunsen-Ges. Phys. Chem. 1992, 96, 1037-1042.
  • 166
    • 0022093150 scopus 로고    scopus 로고
    • 2] in MeCN and toluene; see: Brunner, E. J. Chem. Eng. Data 1985, 30, 269-273.
    • 2] in MeCN and toluene; see: Brunner, E. J. Chem. Eng. Data 1985, 30, 269-273.
  • 167
    • 34247521162 scopus 로고    scopus 로고
    • 2O, DMSO, and 1,2 dichloroethane; see: Hydrogen and Deuterium. In IUPAC, Solubility Data Series; Young, C. L., Ed.; Pergamon Press: New York, 1981; Vols. 5/6, pp 259, 239.
    • 2O, DMSO, and 1,2 dichloroethane; see: Hydrogen and Deuterium. In IUPAC, Solubility Data Series; Young, C. L., Ed.; Pergamon Press: New York, 1981; Vols. 5/6, pp 259, 239.
  • 168
    • 34247520709 scopus 로고    scopus 로고
    • III(HL)). In this case, the resulting ΔBDE would yield an ΔH° value, not ΔG°.
    • III(HL)). In this case, the resulting ΔBDE would yield an ΔH° value, not ΔG°.
  • 170
    • 5244370033 scopus 로고    scopus 로고
    • Pangborn, A. B.; Giardello, M. A.; Grubbs, R. H.; Rosen, R. K.; Timmers, F. J. Organometallics, 1996, 15, 1518-1520; see also http://www.glasscontour.com/index.htm l
    • Pangborn, A. B.; Giardello, M. A.; Grubbs, R. H.; Rosen, R. K.; Timmers, F. J. Organometallics, 1996, 15, 1518-1520; see also http://www.glasscontour.com/index.htm l
  • 173
    • 34247550473 scopus 로고    scopus 로고
    • Least Squares Methods for Multivariate Data. In User Manual SPECFIT/32; Spectrum Software Associates: Marlbourough, MA, 2000-2001; pp 95-96.
    • Least Squares Methods for Multivariate Data. In User Manual SPECFIT/32; Spectrum Software Associates: Marlbourough, MA, 2000-2001; pp 95-96.
  • 174
    • 34247504315 scopus 로고    scopus 로고
    • 2bim).
    • 2bim).


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