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Volumn 15, Issue 14, 2013, Pages 2722-2730

Co-crystallization turned on the phosphorescence of phenanthrene by C-Br⋯π halogen bonding, π-hole⋯π bonding and other assisting interactions

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EID: 84874978790     PISSN: None     EISSN: 14668033     Source Type: Journal    
DOI: 10.1039/c3ce26661c     Document Type: Article
Times cited : (79)

References (42)
  • 24
    • 84870905539 scopus 로고    scopus 로고
    • Bruker Analytical X-ray Instruments Inc., Madison, Wisconsin, USA
    • G. M. Sheldrick, SHELXTL, Version 5.1, Bruker Analytical X-ray Instruments Inc., Madison, Wisconsin, USA, 1998
    • (1998) SHELXTL, Version 5.1
    • Sheldrick, G.M.1
  • 27
    • 33750559983 scopus 로고    scopus 로고
    • The π-hole refers to a positive electrostatic potential region of a deficient π-electron system, which is perpendicular to portions of the molecular network, such as the aromatic ring. For an aromatic molecule, when there are electron withdrawing groups attaching to the aromatic ring, it becomes easy to generate a π-hole. A calculation of the electrostatic potential surface confirms a π-hole does exist on the six-carbon atoms and center of the 1,4-DBrTFB molecule (cf. Fig. S1, ESI). So, when 1,4-DBrTFB interacts with the π-electrons of phenanthrene, it must be more appropriate to describe it as "π-hole⋯π bonding" instead of the general π-π stacking
    • S. Grimme J. Comput. Chem. 2006 27 1787
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787
    • Grimme, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.