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Volumn 42, Issue 4, 2009, Pages 1404-1406

Is experimental evidence sufficient enough to account for the stabilization effect of bisnitroxide on the fate of NMP experiments?

Author keywords

[No Author keywords available]

Indexed keywords

ALKOXYAMINE; ANALYSIS RESULTS; ARRHENIUS PARAMETERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIHEDRAL ANGLES; ELECTRON PARAMAGNETIC RESONANCE; EXPERIMENTAL EVIDENCE; HOMOLYSIS; NITROXIDE; STABILIZATION EFFECTS; UNIMOLECULAR;

EID: 66549091301     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma802432a     Document Type: Article
Times cited : (10)

References (15)
  • 2
    • 66549121499 scopus 로고    scopus 로고
    • Geometries were optimized without constraints with the Gaussian G03 D02 software: Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, Jr, J. A, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B
    • Geometries were optimized without constraints with the Gaussian G03 D02 software: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian, Inc., Wallingford, CT, 2004.
  • 3
    • 66549096461 scopus 로고    scopus 로고
    • In general, spin spin interactions depend on both the distance d and the dihedral angle between the nitroxide moieties
    • In general, spin spin interactions depend on both the distance d and the dihedral angle between the nitroxide moieties.
  • 4
    • 66549083314 scopus 로고    scopus 로고
    • See examples in: Landolt-Börnstein, Group II; Springer-Verlag: Berlin, 1980; 9d2.
    • See examples in: Landolt-Börnstein, Group II; Springer-Verlag: Berlin, 1980; Vol. 9d2.
  • 5
    • 66549094322 scopus 로고    scopus 로고
    • Hyperfine coupling constants between N (I 1) and the unpaired electron and between H (I1 /2) at the position- and the unpaired electron, aN and aH,- respectively.
    • Hyperfine coupling constants between N (I 1) and the unpaired electron and between H (I1 /2) at the position- and the unpaired electron, aN and aH,- respectively.
  • 9
    • 66549125649 scopus 로고    scopus 로고
    • Benson, S. W. In Thermochemical Kinetics, 1st ed.; Wiley: New York, 1968; 2nd ed., 1976.
    • Benson, S. W. In Thermochemical Kinetics, 1st ed.; Wiley: New York, 1968; 2nd ed., 1976.
  • 11
    • 66549088511 scopus 로고    scopus 로고
    • The preparation of 1 and its purification was described as an admixture of four diastereoisomers. Hill, N. L.; Braslau, R. Macromolecules 2005, 38, 2233-2235.
    • The preparation of 1 and its purification was described as an admixture of four diastereoisomers. Hill, N. L.; Braslau, R. Macromolecules 2005, 38, 2233-2235.
  • 13
    • 33645514284 scopus 로고    scopus 로고
    • (((EtO)2(O)P) iPrCH)tBuNOCHMeCOOR ester-based alkoxyamines. Beaudoin, E.; Bertin, D.; Gigmes, D.; Marque, S. R. A.; Siri, D.; Tordo, P. Eur. J. Org. Chem. 2006, 7, 1755-1768.
    • (((EtO)2(O)P) iPrCH)tBuNOCHMeCOOR ester-based alkoxyamines. Beaudoin, E.; Bertin, D.; Gigmes, D.; Marque, S. R. A.; Siri, D.; Tordo, P. Eur. J. Org. Chem. 2006, 7, 1755-1768.
  • 14
    • 66549117858 scopus 로고    scopus 로고
    • Bertin, D.; Gigmes, D.; Marque, S.; Tordo, P. e-Polym. 2003, 000. paper no. 2.
    • Bertin, D.; Gigmes, D.; Marque, S.; Tordo, P. e-Polym. 2003, 000. paper no. 2.
  • 15
    • 66549105190 scopus 로고    scopus 로고
    • Calculations and X-ray studies are underway on models reported in ref 6. However, X-ray structures of several compounds show that the phenyl rings adopt very different conformations depending on the nitroxide fragments. Personal communication of the authors
    • Calculations and X-ray studies are underway on models reported in ref 6. However, X-ray structures of several compounds show that the phenyl rings adopt very different conformations depending on the nitroxide fragments. Personal communication of the authors.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.