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Volumn , Issue 11, 2001, Pages 2763-2772

Structural and electronic properties of neutral phosphoniobenzo[c]phospholides

Author keywords

Conjugation; Electronic structure; Phosphorus; Phosphorus heterocycles; Zwitterions

Indexed keywords

CHLORINE COMPOUNDS; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PHOSPHORUS COMPOUNDS; SPECTROSCOPIC ANALYSIS; STRUCTURAL PROPERTIES; X RAY DIFFRACTION;

EID: 0034751135     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-0682(200111)2001:11<2763::AID-EJIC2763>3.0.CO;2-V     Document Type: Article
Times cited : (10)

References (31)
  • 23
    • 85163247096 scopus 로고    scopus 로고
    • note
    • [8,16]
  • 27
    • 0031192417 scopus 로고    scopus 로고
    • It should be noted that the calculated orbitals are Kohn-Sham orbitals. As such, these are strongly dependent on the chosen functional but may still be used for a qualitative interpretation of chemical phenomena, as has been discussed by the groups of Baerends and Hoffmann: [24a] E. J. Baerends, O. V. Gritsenko, J. Phys. Chem. 1997, 101, 5383.
    • (1997) J. Phys. Chem. , vol.101 , pp. 5383
    • Baerends, E.J.1    Gritsenko, O.V.2
  • 29
    • 85163245940 scopus 로고    scopus 로고
    • note
    • Involvement of a continuous model treatment to the computed gas-phase structures revealed that the π-population are not affected by solvation effects. This suggests that the rating of the canonical contributions should be similar in the gas phase and in solution or the solid state.
  • 31
    • 0004150157 scopus 로고    scopus 로고
    • University of Göttingen
    • SHELXL-97: G. M. Sheldrick, University of Göttingen, 1997.
    • (1997) SHELXL-97
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.