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Volumn 14, Issue 1, 2011, Pages 238-242

Rhenium(I) and technetium(I) complexes of a novel pyridyltriazole-based ligand containing an arylpiperazine pharmacophore: Synthesis, crystal structures, computational studies and radiochemistry

Author keywords

Bidentate ligands; Click chemistry; DFT calculations; Rhenium; Technetium; X ray structure

Indexed keywords


EID: 78651302546     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2010.11.002     Document Type: Article
Times cited : (50)

References (45)
  • 8
    • 78651306161 scopus 로고    scopus 로고
    • A. Boulay, Master's thesis, Paul Sabatier University, Toulouse, France, 2009
    • (a) A. Boulay, Master's thesis, Paul Sabatier University, Toulouse, France, 2009
  • 21
    • 78651339262 scopus 로고    scopus 로고
    • See supplementary data for the synthesis and the characterization of compounds 2 and 2-Re
    • See supplementary data for the synthesis and the characterization of compounds 2 and 2-Re.
  • 22
    • 78651327343 scopus 로고    scopus 로고
    • note
    • Crystal data for 2.H2O: C20H26N6O2, monoclinic, space group P21/c, a = 13.1340(3), b = 14.5355(3), c = 10.1669(2) Å, α = γ = 90° β = 96.9350(10)° V = 1926.75(7) Å3, Z = 4, Dc = 1.318 Mg.m-3, 24351 reflections collected, 4753 unique, Rint = 0.0401, data/restraints/ parameters: 4753/0/260; S = 1.046; Final R indices [I > 2σ(I)] R1 = 0.0401, wR2 = 0.0935; R indices (all data) R1 = 0.0554, wR2 = 0.1020, Largest diff. peak and hole 0.251 and - 0.174 e.Å-3, CCDC 787115.
  • 26
    • 78651305288 scopus 로고    scopus 로고
    • note
    • Crystal data for 2-Re: C23H24ClN6O4Re, M = 670.13, monoclinic, space group P21/c, a = 20.2441(5), b = 8.6532(2), c = 15.6830(4) Å, α = γ = 90° β = 109.1070(10)° V = 2595.94(11) Å3, Z = 4, Dc = 1.715 Mg m-3, T = 193(2) K. 33515 reflections collected, 6406 unique, Rint = 0.0478, data/restraints/parameters: 6406/0/317; S = 1.037; Final R indices [I > 2σ(I)] R1 = 0.0290, wR2 = 0.0749; R indices (all data) R1 = 0.0364, wR2 = 0.0802, Largest diff. peak and hole 1.723 and -1.120 e.Å-3, CCDC 787116.
  • 35
    • 78651333747 scopus 로고    scopus 로고
    • note
    • Calculated (experimental) bond lengths [Å]: Re(1)-C(22) = 1.925 (1.909(4)), Re(1)-C(21) = 1.929 (1.921(4)), Re(1)-C(23) = 1.914 (1.957(4)), Re(1)-N(5) = 2.180 (2.161(3)), Re(1)-N(6) = 2.241 (2.210(3)), Re(1)-Cl(1) = 2.541 (2.4657(10)); calculated (experimental) bond angles [°]: C(22)-Re(1)-N(5) = 169.88 (172.11(13)), C(21)-Re(1)-N(6) = 170.61 (173.82(14)), C(23)-Re(1)-Cl(1) = 175.49 (176.63(11)), C(23)-Re(1)-N(6) = 94.30 (92.56(13)), C(23)-Re(1)-N(5) = 94.52 (93.70(13)), N(5)-Re(1)-N(6) = 74.05 (74.83(11)).
  • 36
    • 0002877808 scopus 로고    scopus 로고
    • Recent developments and applications in modern density functional theory
    • M.E. Casida J.M. Seminario, Recent developments and applications in modern density functional theory Theoretical and Computational Chemistry Vol. 4 1996 Elsevier Amsterdam
    • (1996) Theoretical and Computational Chemistry , vol.4
    • Casida, M.E.1
  • 41
    • 3242668612 scopus 로고    scopus 로고
    • The quantum yield was calculated using the following reference Stephenson K.A. J. Am. Chem. Soc. 126 2004 8598
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 8598
    • Stephenson, K.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.