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Volumn 128, Issue 51, 2006, Pages 16733-16739

Deviation from the planarity - A large Dy3N cluster encapsulated in an Ih-C80 cage: An X-ray crystallographic and vibrational spectroscopic study

Author keywords

[No Author keywords available]

Indexed keywords

FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; RAMAN SPECTROSCOPY; SINGLE CRYSTALS; X RAY CRYSTALLOGRAPHY;

EID: 33845969543     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066814i     Document Type: Article
Times cited : (126)

References (37)
  • 2
    • 33846001533 scopus 로고    scopus 로고
    • For recent invited review, see a, submitted
    • For recent invited review, see (a) Dunsch, L.; Yang, S. Small, submitted.
    • Small
    • Dunsch, L.1    Yang, S.2
  • 31
    • 33846003374 scopus 로고    scopus 로고
    • The determined space group of C2/c for Dy 3N@C80·Ni(OEP)·2C6H6, which is different from those of the analogous compounds (C2/m) for M3N@C80 (I, M, Sc, Gd, refs 3 and 16, and the doubling of the c parameter indicate that the reason of a mirror disorder of the C80 cage reported in refs 3 and 16 was simply a nonperfect crystallization. This resulted in an irregular translation along the c axis and, consequently, in averaging of two mirrored orientations of the C80 cage, whereas the M(OEP) units (oriented more symmetrically relative the crystallographic axes) appeared to be not disordered. However, in a more recent report on CeSc2N@C80 (ref 14, the determined space group (C2/c) and c parameter were almost identical to our case, confirming the more perfect crystallization for Dy3N@C 80·
    • 80 cage for both cases.
  • 32
    • 33845991379 scopus 로고    scopus 로고
    • Dy-to-ring center distances are 1.941, 1.927, and 1.936 Å, smaller than those for the case of Gd3 reported in ref 16.
    • Dy-to-ring center distances are 1.941, 1.927, and 1.936 Å, smaller than those for the case of Gd3 reported in ref 16.
  • 33
    • 33845972857 scopus 로고    scopus 로고
    • Because the carbon cage atoms involved in interactions with Dy atoms are somewhat pushed outward from the cage, there is an additional small disorder for these atoms (because of the disorder of Dy atoms, thus explaining some irregularities (or distortions) for thermal ellipsoids of a few carbon atoms of the C80 cage
    • 80 cage.
  • 36
    • 33846029357 scopus 로고    scopus 로고
    • This is contrary to the case of M-N antisymmetric stretching mode, which is defined only by the M-N force constant since displacements of the metal atoms in this vibration are negligible. Hence, νas,M-N frequencies of different M3N@C80 (I) can be compared directly
    • 80 (I) can be compared directly.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.