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Volumn 26, Issue 6, 2007, Pages 1299-1302

Buckling under strain: Relief of steric pressure occurs differently for samarium(III) porphyrinogen complexes of the π-bound auxiliary ligands cyclopentadienyl and cyclooctatetraenediyl

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BUCKLING; LIGANDS; STRAIN CONTROL;

EID: 33947701531     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om061143i     Document Type: Article
Times cited : (16)

References (24)
  • 8
    • 0036625395 scopus 로고    scopus 로고
    • For reviews, see: a
    • For reviews, see: (a) Evans, W. J.; Davis, B. L. Chem. Rev. 2002, 102, 2119.
    • (2002) Chem. Rev , vol.102 , pp. 2119
    • Evans, W.J.1    Davis, B.L.2
  • 11
    • 0002627202 scopus 로고    scopus 로고
    • The stability of, C5Me5)SmIII(COT, is an alternative reason for the outcome of Scheme 1, particularly as, C 5Me5)3SmII] reacts with a further 1 equiv of COT to give, C5Me5)SmIIICOT, See also the related reactions conducted in the presence of coordinated THF: Recknagel, A, Noltemeyer, M, Edelmann, F. T. J. Organomet. Chem. 1991, 410, 53
    • III(COT)]. See also the related reactions conducted in the presence of coordinated THF: Recknagel, A.; Noltemeyer, M.; Edelmann, F. T. J. Organomet. Chem. 1991, 410, 53.
  • 14
    • 0001614417 scopus 로고    scopus 로고
    • The former appears most influential, as tetraanionic, unmodified porphyrinogens reported by others also feature similar metallocene bending angles: for example, see
    • The former appears most influential, as tetraanionic, unmodified porphyrinogens reported by others also feature similar metallocene bending angles: for example, see: Dubé, T.; Gambarotta, S.; Yap, G. Organometallics 2000, 19, 121.
    • (2000) Organometallics , vol.19 , pp. 121
    • Dubé, T.1    Gambarotta, S.2    Yap, G.3
  • 15
    • 33947705895 scopus 로고    scopus 로고
    • Crystal data for 6: C43H59N4Sm·1/ 4C6H14, Mr, 803.83, 0.35 × 0.25 × 0.20 mm3, orthorhombic, Pbcn, a, 16.794(3) Å, b, 30.921(5) Å, c, 15.991 (3) Å, V, 8304(3) Å3, Z, 8, ρcalcd, 1.286 Mg m-3, μ, 1.448 mm-1, 2θmax, 56.66°, 58 100 reflections collected, 10 152 independent reflections (Rint, 0.059, R, 0.037 for 6934 (I > 2σ(I, data and Rw, 0.091 (all data, s, 1.052, residual electron density -0.58/+0.71 e Å-3. Crystal data for 7: C 84H116N8Sm2·2C 7H8, Mr, 1722.82, 0.26 × 0.13 × 0.07 mm3, monoclinic, C2/c, a, 19.8414(3) Å, b, 13.6819(2) Å, c, 31.6735(5) Å, β= 99.861(1)°, V, 8471.3(2) Å3
    • -3. Data for 6 and 7 were recorded at 150(2) K, with Mo Kα (0.710 73 Å) radiation.
  • 16
    • 0037450064 scopus 로고    scopus 로고
    • 1 binding for a tetraanionic, unmodified porphyrinogen has been noted in response to a π-bound ligand, but in that case N-Me substitution is lacking: Korobkov, I.; Gambarotta, S.; Yap, G. P. A. Angew. Chem., Int. Ed. 2003, 42, 814.
    • 1 binding for a tetraanionic, unmodified porphyrinogen has been noted in response to a π-bound ligand, but in that case N-Me substitution is lacking: Korobkov, I.; Gambarotta, S.; Yap, G. P. A. Angew. Chem., Int. Ed. 2003, 42, 814.
  • 17
    • 27544474631 scopus 로고    scopus 로고
    • 1-N binding of a N-methylpyrrolyl moiety has been noted in a Cr(II) chelate complex recently by displacement of the methyl group from the plane of the heterocycle, though the reason for and energetics of the feature were not discussed: Crewdson, P.; Gambarotta, S.; Djoman, M.-C.; Korobkov, I.; Duchateau, R. Organometallics 2005, 24, 5214.
    • 1-N binding of a N-methylpyrrolyl moiety has been noted in a Cr(II) chelate complex recently by displacement of the methyl group from the plane of the heterocycle, though the reason for and energetics of the feature were not discussed: Crewdson, P.; Gambarotta, S.; Djoman, M.-C.; Korobkov, I.; Duchateau, R. Organometallics 2005, 24, 5214.
  • 20
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    • B3LYP/6-311+G(2d,p)//B3LYP/6-31Gd, Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, 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
    • B3LYP/6-311+G(2d,p)//B3LYP/6-31G(d): Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; 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 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.


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