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Volumn 106, Issue 35, 2002, Pages 8109-8116

X-ray diffraction and ab initio quantum-chemical study of the charge density in the crystals of meisenheimer complexes-derivatives of 2,4,6-trinitrobenzene and 5,7-dinitroquinoline

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC COMPOUNDS; POSITIVE IONS; SINGLE CRYSTALS; X RAY DIFFRACTION ANALYSIS;

EID: 0037026785     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0139540     Document Type: Article
Times cited : (8)

References (46)
  • 30
    • 0004283944 scopus 로고    scopus 로고
    • Bruker AXS Inc.: Madison, WI-53719, USA
    • Sheldrick, G.M. SADABS; Bruker AXS Inc.: Madison, WI-53719, USA, 1997.
    • (1997) SADABS
    • Sheldrick, G.M.1
  • 32
    • 0004150157 scopus 로고    scopus 로고
    • Bruker AXS Inc., Madison, WI-53719: USA
    • Sheldrick, G.M. SHELXTL-97 V5.10; Bruker AXS Inc., Madison, WI-53719: USA, 1997.
    • (1997) SHELXTL-97 V5.10
    • Sheldrick, G.M.1
  • 36
    • 0003495717 scopus 로고
    • A Quantum Theory; Oxford University Press: Oxford
    • Bader, R.F.W. Atoms in Molecules; A Quantum Theory; Oxford University Press: Oxford, 1990.
    • (1990) Atoms in Molecules
    • Bader, R.F.W.1
  • 41
    • 0011745208 scopus 로고    scopus 로고
    • note
    • The structure IV-R is the generalized formula for three canonic forms with single C-N bonds. In these three resonance forms negative charge is localized at the C(2), C(4) and C(6) atoms, respectively. Similarly, the structure III-Q at Scheme 2 is the generalized formula for two canonic forms with single C-N bonds of the nitro groups.
  • 42
    • 0011745705 scopus 로고    scopus 로고
    • note
    • 3 is overestimated.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.