메뉴 건너뛰기




Volumn 125, Issue 18, 2003, Pages 5549-5558

Solution versus solid-state structure of ytterbium heterobimetallic catalysts

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; INFRARED RADIATION; MAGNETIC ANISOTROPY; MAGNETIC SUSCEPTIBILITY; NUCLEAR MAGNETIC RESONANCE; X RAY DIFFRACTION;

EID: 0037687436     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0297640     Document Type: Article
Times cited : (80)

References (56)
  • 8
    • 0038754592 scopus 로고    scopus 로고
    • note
    • In ref 4, Aspinall et al. made a preliminary analysis which will be discussed in the following.
  • 9
    • 0037185317 scopus 로고    scopus 로고
    • and references therein
    • Quadrelii, E. A. Inorg. Chem. 2002, 41, 167-169 and references therein.
    • (2002) Inorg. Chem. , vol.41 , pp. 167-169
    • Quadrelii, E.A.1
  • 10
    • 0038416486 scopus 로고    scopus 로고
    • note
    • The angle θ is defined as the average of 2-1-1′-2′ and 9-1-1′-9′ dihedrals.
  • 11
    • 0038754590 scopus 로고    scopus 로고
    • note
    • 3] 3 taken from ref 4a.
  • 13
    • 0038077927 scopus 로고    scopus 로고
    • note
    • 13C NMR spectra were assigned by a two-dimensional HETCOR experiment.
  • 15
    • 0038416488 scopus 로고    scopus 로고
    • note
    • The contact contribution is usually considered negligible, ref 11.
  • 17
    • 0038416487 scopus 로고    scopus 로고
    • note
    • Considering the differences that exist between diamagnetic spectra reported in ref 4a, one concludes that the Lu-Na complex 4 is the diamagnetic complex more akin to 1.
  • 18
    • 0038416491 scopus 로고    scopus 로고
    • note
    • C-H = 1.08 Å had no influence on the NMR data analysis through PERSEUS. One must take into account that the accuracy of paramagnetic NMR is limited by several factors (e.g., line width, bulk paramagnetism, neglect of contact terms).
  • 19
    • 0037740413 scopus 로고    scopus 로고
    • note
    • 13C were less accurate and did not improve the quality of the fitting.
  • 22
    • 0038754591 scopus 로고    scopus 로고
    • note
    • -1.
  • 24
    • 0037740409 scopus 로고    scopus 로고
    • note
    • 1 of the diamagnetic complex 4.
  • 25
    • 0038416489 scopus 로고    scopus 로고
    • note
    • 13C NMR spectra.
  • 26
    • 0038077928 scopus 로고    scopus 로고
    • note
    • For the analysis of the pseudocontact shifts of 1 and 3, Aspinall and coworkers (ref 4a) used the respective XRD structures, which are indeed different from each other. These authors, however, fail to observe that the symmetric XRD structure of 3 fits equally well the NMR spectra of both derivatives. The accord is less satisfactory for the artificially symmetrized structure of 1, instead, where a nonvanishing intercept must be introduced to fit the data.
  • 28
    • 0038077929 scopus 로고    scopus 로고
    • note
    • 8-THF solution of 2.
  • 49
    • 0037740411 scopus 로고    scopus 로고
    • note
    • b transition polarization and naphthalene long axis is found by CNDO calculations on 2-naphthoate (ref 38). See ref 32b for a discussion about the role played by transition polarizations on exciton-type calculations on 1,1′-binaphthyl derivatives.
  • 50
    • 36849098916 scopus 로고
    • CNDO/S-CI calculations were carried out with a CNDO/M program, according to Del Bene and Jaffé's formulation [Del Bene, J.; Jaffé, H. H. J. Chem. Phys. 1968, 49, 1221-1229], with a Mataga approximation of two-electron repulsion integrals. Up to 60 singly excited states, with maximum energy values of 7.0 eV, were included in the CI. B3LYP-DFT optimized structures (carried out with Gaussian 94, Gaussian, Inc.: Pittsburgh, PA) were used as the input geometries.
    • (1968) J. Chem. Phys. , vol.49 , pp. 1221-1229
    • Del Bene, J.1    Jaffé, H.H.2
  • 52
    • 0001251655 scopus 로고    scopus 로고
    • personal communications
    • 3] is altered by the presence of a non-negligible amount of free BINOL, due to the partial decomposition of the complex [Peacock, R. D. and Siligardi, G., personal communications].
    • Peacock, R.D.1    Siligardi, G.2
  • 54
    • 0004100191 scopus 로고    scopus 로고
    • rel. 2.1; Siemens Analytical X-ray Instruments Inc.: Madison, WI
    • XSCANS, X-ray Single-Crystal Analysis System, rel. 2.1; Siemens Analytical X-ray Instruments Inc.: Madison, WI, 1996.
    • (1996) XSCANS, X-ray Single-Crystal Analysis System
  • 55
    • 0004150157 scopus 로고    scopus 로고
    • relat. 5.1; Bruker Analytical X-ray Instruments Inc.: Madison, WI
    • Sheldrick, G. M. SHELXTL-Plus, relat. 5.1; Bruker Analytical X-ray Instruments Inc.: Madison, WI, 1997.
    • (1997) SHELXTL-Plus
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.