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Volumn 18, Issue 16, 2008, Pages 1927-1934

Synthesis and through-bond spin interaction of stable 1,3-phenylene linked poly(phenothiazine cation radical)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CRYSTALLOGRAPHY; DIMERS; MOLECULAR INTERACTIONS; MONOMERS; POSITIVE IONS; SYNTHESIS (CHEMICAL);

EID: 41849127115     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/b716919a     Document Type: Article
Times cited : (23)

References (45)
  • 1
    • 33947095966 scopus 로고    scopus 로고
    • K. Itoh and M. Kinoshita, Kodansha, Tokyo
    • Molecular Magnetism, ed., K. Itoh, and, M. Kinoshita, Kodansha, Tokyo, 1999
    • (1999) Molecular Magnetism, Ed.
  • 32
    • 2042490882 scopus 로고
    • 2m. Empirical formula: C32H33Cl6NSSb; formula weight: 798.10; temperature = 193(2) K; crystal system: monoclinic; space group: p21/a; unit cell dimensions: a = 13.7062(5), b = 21.5592(8), c = 22.5411(8) Å, α = 90, β = 94.493(2), γ = 90°; V = 6640.3(4) Å3; Z = 8; μ(Mo Kα) = 1.401 mm-1; reflections collected = 50420, independent collections = 14820 (Rint = 0.0296), GOF = 1.170, Final R indices [I > 2σ(I)]: R1 = 0.0526, wR2 = 0.1083; R indices (all data): R1 = 0.0590, wR2 = 0.1113. CCDC reference number 662325. For example
    • F. L. Ruperez J. C. Conesa J. Soria J. Chem. Soc., Perkin Trans. 2 1986 3 391
    • (1986) J. Chem. Soc., Perkin Trans. 2 , vol.3 , pp. 391
    • Ruperez, F.L.1    Conesa, J.C.2    Soria, J.3
  • 39
    • 33750369421 scopus 로고    scopus 로고
    • Although dihedral angle ∠C5-C4-C13-C18 was -12.0° in 2m (Fig. 2(b)), ∠C5-C4-C13-C18 = 12.0° was used in 2d, because two dihedral angles in 1m were positive and, in the case of -12.0°, calculation gave the result that spin densities in 2d in the singlet state are almost 0 For 1d and 2d, the UB3LYP/6-31G and UB3LYP/6-31G(d) models were used, respectively. 1d: ES= -1963.00529703 hartree, 2 > S = 1.0274, ET = -1963.00534307 hartree and 2 > T = 2.0287. 2d: ES= -2689.03796769 hartree, 2 > S = 1.0157, ET = -2689.03806737 hartree and 2 > T = 2.0175 Before 9b, the n-octyl and t-butyl groups were used as the substituents on the 1,3-phenylene moiety. But polymers carrying these substituents were insoluble
    • K. Hayakawa D. Shiomi T. Ise K. Sato T. Takui J. Mater. Chem. 2006 16 4146
    • (2006) J. Mater. Chem. , vol.16 , pp. 4146
    • Hayakawa, K.1    Shiomi, D.2    Ise, T.3    Sato, K.4    Takui, T.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.