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Volumn 46, Issue 37, 2007, Pages 7001-7005

Unusual silicon coordination polyhedra: Non-VSEPR structures of zwitterionic λ5-Si silicon(IV) complexes with an SiS 2N2C or SiS2O2C skeleton

Author keywords

Ab initio calculations; Density functional calculations; S ligands; Silicon; Zwitterions

Indexed keywords

COMPLEXATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; POLYMERS;

EID: 34848824029     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700785     Document Type: Article
Times cited : (26)

References (39)
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    • Selected reviews dealing with higher-coordinate silicon compounds: a D. Kost, I. Kalikhman in The Chemistry of Organic Silicon Compounds, 2, Part 2 (Eds.: Z. Rappoport, Y. Apeloig), Wiley, Chichester, 1998, pp. 1339-1445;
    • Selected reviews dealing with higher-coordinate silicon compounds: a) D. Kost, I. Kalikhman in The Chemistry of Organic Silicon Compounds, Vol. 2, Part 2 (Eds.: Z. Rappoport, Y. Apeloig), Wiley, Chichester, 1998, pp. 1339-1445;
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    • Silicon in Organic, Organometallic, and Polymer Chemistry
    • e) M. A. Brook, Silicon in Organic, Organometallic, and Polymer Chemistry, Wiley, New York, 2000, pp. 97-114;
    • (2000) Wiley, New York , pp. 97-114
    • Brook, M.A.1
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    • 5-Si compounds with Si-S bonds: a R. Willeke, R. Tacke, Z. Anorg. Allg. Chem. 2001, 627, 1537-1541;
    • 5-Si compounds with Si-S bonds: a) R. Willeke, R. Tacke, Z. Anorg. Allg. Chem. 2001, 627, 1537-1541;
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    • Crystal structure analyses of 1 and 2: Suitable single crystals were mounted in inert oil (perfluoroalkyl ether, ABCR) on a glass fiber and then transferred to the cold nitrogen gas stream of the diffractometer (Stoe IPDS; graphite-monochromated MoKα radiation, λ, 0.71073 Å, The structures were solved by direct methods (SHELXS-97) and refined by full-matrix least-squares methods on F2 for all unique reflections (SHELXL-97, For the CH hydrogen atoms, a riding model was employed. The positions of the NH hydrogen atoms were localized in difference Fourier syntheses and refined freely. CCDC-647513 (1) and CCDC-647514 (2) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via 1: single crystal of dimensions 0.5 x 0.5 x 0.2 mm obtained by crystallizati
    • -3.
  • 20
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    • The degree of distortion was calculated by using the dihedral-angle method described in references [5a] and [5b, All nine dihedral angles and the values for the reference geometry of the ideal square pyramid given in reference [5a] were considered for this calculation
    • c) The degree of distortion was calculated by using the dihedral-angle method described in references [5a] and [5b]. All nine dihedral angles and the values for the reference geometry of the ideal square pyramid given in reference [5a] were considered for this calculation.
  • 23
    • 34848916058 scopus 로고    scopus 로고
    • The hydrogen-bonding systems were analyzed by using the program system PLATON: A. L. Spek, PLATON, University of Utrecht, Utrecht, The Netherlands, 1998.
    • The hydrogen-bonding systems were analyzed by using the program system PLATON: A. L. Spek, PLATON, University of Utrecht, Utrecht, The Netherlands, 1998.
  • 24
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    • Solid-state 13C, 15N, and 29Si VACP/Magic-Angle-Spinning (MAS) NMR studies on 1 and 2: The NMR spectra were recorded at 22°C on a Bruker DSX-400 NMR spectrometer with bottom layer rotors of ZrO2 (diameter, 7 mm) containing ca. 100 mg of sample (13C, 100.6 MHz; 15N, 40.6 MHz; 29Si, 79.5 MHz, external standard TMS (13C, 29Si; δ, 0 ppm) or glycine (15N, δ, 342.0 ppm, spinning rate 5.5-7 kHz; contact time 1 ms (13C, 3 ms 15N, or 5 ms, 29Si, 90° 1H transmitter pulse length, 3.6 μs; repetition time, 4 s
    • 1H transmitter pulse length, 3.6 μs; repetition time, 4 s.
  • 25
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    • M. Kaupp, Angew. Chem. 2001, 113, 3642-3677;
    • (2001) Angew. Chem , vol.113 , pp. 3642-3677
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    • Angew. Chem. Int. Ed. 2001, 40, 3534-3565.
    • (2001) Chem. Int. Ed , vol.40 , pp. 3534-3565
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  • 33
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    • Gaussian 03 (Revision B.04 ed.): M. J. Frisch et al., see Supporting Information;
    • a) Gaussian 03 (Revision B.04 ed.): M. J. Frisch et al., see Supporting Information;


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.