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Volumn 113, Issue 50, 2009, Pages 13953-13963

Theoretical study on rotation of pyrrole rings in porphyrin and N-confused porphyrin

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC STABILIZATION; DFT CALCULATION; HIGH ACTIVATION ENERGY; INTRAMOLECULAR HYDROGEN BONDING; MACROCYCLES; N-CONFUSED PORPHYRINS; PYRROLE RING; REACTION PATHWAYS; SMALL CAVITIES; THEORETICAL STUDY;

EID: 72649093031     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp906126g     Document Type: Article
Times cited : (37)

References (51)
  • 10
    • 72649098518 scopus 로고    scopus 로고
    • Whereas huge numbers of examples about deformation from planar conformation have been reported, no one is significantly related to pyrrole rotation.
    • Whereas huge numbers of examples about deformation from planar conformation have been reported, no one is significantly related to pyrrole rotation.
  • 44
    • 72649088775 scopus 로고    scopus 로고
    • Kohn-Sham orbitals of PORinv2 are also essentially same with those of POR.
    • Kohn-Sham orbitals of PORinv2 are also essentially same with those of POR.
  • 45
    • 72649104803 scopus 로고    scopus 로고
    • note
    • Relationship between aromaticity and a number of π-electrons is reversed from standard conformation in Möbius conformation: [4n+2]π Hückel, aromatic; [4n+2]π Möbius, antiaromatic; 4nπ Hückel, antiaromatic; 4nπ Möbius, aromatic.
  • 46
  • 51
    • 72649098169 scopus 로고    scopus 로고
    • Halogenation is so far essential for formation of N-fused porphyrin from N-confused porphyrin without assistance of other reagents.
    • Halogenation is so far essential for formation of N-fused porphyrin from N-confused porphyrin without assistance of other reagents.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.