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Volumn , Issue 28, 2008, Pages 4440-4447

The first metal complexes of the proton sponge 1,8-bis(N,N,N′, N′-tetramethylguanidino)naphthalene: Syntheses and properties

Author keywords

Chelates; Coordination compounds; Guanidine; Palladium; Platinum; Proton sponge

Indexed keywords

ATOMS; CHELATION; COORDINATION REACTIONS; ETHYLENE; METAL COMPLEXES; NAPHTHALENE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PALLADIUM; PALLADIUM COMPOUNDS; PLATINUM; PLATINUM COMPOUNDS; QUANTUM CHEMISTRY; STEREOCHEMISTRY; X RAY CRYSTALLOGRAPHY;

EID: 53549099677     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200800677     Document Type: Article
Times cited : (42)

References (37)
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    • Angew. Chem. Int. Ed. 2001, 40, 3182-3184.
    • (2001) Angew. Chem. Int. Ed , vol.40 , pp. 3182-3184
  • 14
    • 33746217434 scopus 로고    scopus 로고
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    • (2006) Angew. Chem. Int. Ed , vol.45 , pp. 3867-3869
  • 15
    • 85163245586 scopus 로고    scopus 로고
    • The best plane is obtained by minimizing the sum of the square deviations of all C atoms in the naphthyl group. The maximum deviations from this plane are 13.4(5) pm (C1) and -12.2(5) pm (C3) for 1, and 14.7 pm (C1) and -12.3 pm (C3) for 3. The root-mean-square deviations of fitted atoms are 9.98 pm for 1 and 10.74 pm for 3.
    • The best plane is obtained by minimizing the sum of the square deviations of all C atoms in the naphthyl group. The maximum deviations from this plane are 13.4(5) pm (C1) and -12.2(5) pm (C3) for 1, and 14.7 pm (C1) and -12.3 pm (C3) for 3. The root-mean-square deviations of fitted atoms are 9.98 pm for 1 and 10.74 pm for 3.
  • 16
    • 85163244248 scopus 로고    scopus 로고
    • DNMR Lineshape Analysis module as part of the Topspin software package, TOPSPIN 2.1, 2008, Bruker Biospin.
    • DNMR Lineshape Analysis module as part of the Topspin software package, TOPSPIN 2.1, 2008, Bruker Biospin.
  • 22
    • 85163243642 scopus 로고    scopus 로고
    • Quantum chemical calculations within the framework of density functional theory were performed with the program package TURBOMOLE.[24] For all calculations, the B3LYP functional was used,[25] which is based on a three-parameter functional by Becke[26] and incorporates the correlation functional by Lee, Yang, and Parr.[27] The structures of the different systems are optimized and vibrational frequencies are calculated analytically.[28] The determination of the electronic energies used the def2-TZVP basis set.[29] Zero point vibrational energies and thermodynamic contributions were obtained with the smaller def2-SV(P) basis set[29] only
    • [29] only.
  • 27
    • 0004148376 scopus 로고
    • G. M. Sheldrick, C. Krüger, R. Goddard Eds, Clarendon Press, Oxford, UK
    • a) P. T. Beurskens, in: G. M. Sheldrick, C. Krüger, R. Goddard (Eds.), Crystallographic Computing 3, Clarendon Press, Oxford, UK, 1985, p. 216;
    • (1985) Crystallographic Computing 3 , pp. 216
    • Beurskens, P.T.1
  • 29
    • 0004150157 scopus 로고    scopus 로고
    • University of Göttingen
    • a) G. M. Sheldrick, SHELXS-97, University of Göttingen, 1997;
    • (1997) SHELXS-97
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.