메뉴 건너뛰기




Volumn 103, Issue 11, 2003, Pages 4175-4205

Carbon in one dimension: Structural analysis of the higher conjugated polyynes

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); CARBON; CHARACTERIZATION; COMPLEXATION; CONFORMATIONS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; HYDROGEN BONDS; MACROMOLECULES; MOLECULAR STRUCTURE; REACTION KINETICS;

EID: 0345549642     PISSN: 00092665     EISSN: None     Source Type: Journal    
DOI: 10.1021/cr030041o     Document Type: Article
Times cited : (401)

References (99)
  • 49
    • 0344661240 scopus 로고    scopus 로고
    • unpublished data, University of Alberta
    • Compounds C8-9, C8-18, C12-1: Tykwinski, R. R. and co-workers, unpublished data, University of Alberta.
    • Tykwinski, R.R.1
  • 56
    • 0345523617 scopus 로고    scopus 로고
    • unpublished results, Universität Erlangen-Nürnberg
    • Compounds C8-23-26 and C10-3: Gladysz, J. A.; Hampel, F., and co-workers, unpublished results, Universität Erlangen-Nürnberg.
    • Gladysz, J.A.1    Hampel, F.2
  • 72
    • 0344661239 scopus 로고    scopus 로고
    • Unpublished data, Universität Erlangen-Nürnberg
    • (b) Jiao, H. Unpublished data, Universität Erlangen-Nürnberg.
    • Jiao, H.1
  • 75
    • 0345092126 scopus 로고    scopus 로고
    • note
    • The angle given in ref 33 (19.7°) is incorrect.
  • 76
    • 0345523616 scopus 로고    scopus 로고
    • University of Wroclaw, is gratefully acknowledged
    • The assistance and input of Dr. J. Panek and Dr. K. Mierzwicki, University of Wroclaw, is gratefully acknowledged.
    • Panek, J.1    Mierzwicki, K.2
  • 77
    • 0344229986 scopus 로고    scopus 로고
    • note
    • nX′ with n = 4, 6, 8 (resulting interatomic distances: 1.563, 1.567, 1.569 Å % contractions: 56.3, 56.7, 56.9). The ξ values were 0.56657, 0.64343, and 0.71274, respectively. Next two semicircles were arranged in an S or ∩∪ shape, such that the termini or X-X′ distances were 9, 13, and 17 Å. Ten, 14, and 18 atoms were again spaced evenly along the circumference (resulting interatomic distances: 1.539, 1.555, 1.562 Å; % contractions: 53.9, 55.5, 56.2). The ξ 0.53009, 0.63718, and 0.72870, were similar to those of the single semicircles. Note that the least-squares lines for the single semicircles do not contain the endgroups, but those for the S-shaped double-semicircles must. Since the former can "float", it is intuitively plausible that the ξ values are approximately equal.
  • 85
    • 0345523615 scopus 로고    scopus 로고
    • note
    • Analogous calculations for all compounds in Table 5 were carried out using the midpoints of the carbon chains as opposed to the midpoints of the X/X′ vectors. In more than half the cases, the φ and offset values were identical. In a few cases, modest deviations were observed, corresponding to nonidealities resulting from the relative chain conformations (e.g., parallel and antiparallel relationships between molecules with bow conformations as discussed in the text).
  • 96
    • 0344229985 scopus 로고    scopus 로고
    • note
    • It appears challenging to formulate the stacking requirement in terms of symmetry. When the polyyne occupies a special position (i.e., a 2-fold axis or symmetry center), polymerization will generally be possible, subject to the other metrical requirements. When the polyyne occupies a general position, the crystal lattice must be further scrutinized. When the nearest polyynes are related by a translation along any axis, a topochemical polymerization will be possible. Data for compounds analyzed: C10-1, special position, nearest neighbor relation: x, y, z/x, 1+y, z; C8-7a, general position, nearest neighbor relation: x, y, z/x, 1+y, z; C8-18, special position, nearest neighbor relation: x, y, z/z, y-1, z; C12-7, special position, nearest neighbor relation: x, y, z/x, y, z-1; C8-27·4acetone, special position, nearest neighbor relation: x, y, z/x, 1+y, z; C8-8, special position, nearest neighbor relation: x, y, z/x-1, y, z; C8-10, general position, nearest neighbor relation: x, y, x/1-x, 2-y, 1-z; C8-5, general position, nearest neighbor relation: x, y, z/1-x, 1-y, 1-z.
  • 98
    • 0345092128 scopus 로고    scopus 로고
    • note
    • The value of φ that we calculate for C8-5 (49.4°) differs from that reported (69°).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.