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Volumn 106, Issue 34, 2002, Pages 7813-7819

An experimental electron density investigation of squarate and croconate dianions

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY ANALYSIS; DIANIONS;

EID: 0037194905     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013902a     Document Type: Article
Times cited : (38)

References (49)
  • 32
    • 0011713258 scopus 로고    scopus 로고
    • A second refinement has been carried out in which the sodium ion is treated as spherical (core-only scattering) and the chemical equivalence constraint on the ring oxygen atoms removed (supplementary Tables 4 and 5). In the literature, we find both types of refinements adopted for the sodium ions. For example, Ichikawa et al. (Ichikawa, M.; Gustafsson, T.; Olovsson, I. Acta Crystallogr. 1998, B54, 29) employed hexadecapole refinement, whereas Bak et al. (Bak, H.P.; Olovsson, I.; McIntyre, G.J. Acta Crystallogr. 1998, B54, 600) imposed spherical symmetry on sodium ions.
    • (1998) Acta Crystallogr. , vol.B54 , pp. 29
    • Ichikawa, M.1    Gustafsson, T.2    Olovsson, I.3
  • 33
    • 0041144653 scopus 로고    scopus 로고
    • A second refinement has been carried out in which the sodium ion is treated as spherical (core-only scattering) and the chemical equivalence constraint on the ring oxygen atoms removed (supplementary Tables 4 and 5). In the literature, we find both types of refinements adopted for the sodium ions. For example, Ichikawa et al. (Ichikawa, M.; Gustafsson, T.; Olovsson, I. Acta Crystallogr. 1998, B54, 29) employed hexadecapole refinement, whereas Bak et al. (Bak, H.P.; Olovsson, I.; McIntyre, G.J. Acta Crystallogr. 1998, B54, 600) imposed spherical symmetry on sodium ions.
    • (1998) Acta Crystallogr. , vol.B54 , pp. 600
    • Bak, H.P.1    Olovsson, I.2    McIntyre, G.J.3
  • 40
    • 0011713516 scopus 로고    scopus 로고
    • note
    • -3. The Laplacians exhibit a similar spread as in the original refinement (see supplementary Table 5). Ring critical point descriptors also do not differ significantly.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.