Does Gd@C82 have an anomalous endohedral structure? Synthesis and single crystal X-ray structure of the carbene adduct.
We report here the results on single crystal X-ray crystallographic analysis of the Gd@C82 carbene adduct (Gd@C82(Ad), Ad = adamantylidene). The Gd atom in Gd@C82(Ad) is located at an off-centered position near a hexagonal ring in the C2v-C82 cage, as found for M@C82 (M = Sc and La) and La@C82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.
Akasaka
Takeshi
T
Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba 305-8577, Japan. akasaka@tara.tsukuba.ac.jp
Kono
Takayoshi
T
Takematsu
Yuji
Y
Nikawa
Hidefumi
H
Nakahodo
Tsukasa
T
Wakahara
Takatsugu
T
Ishitsuka
Midori O
MO
Tsuchiya
Takahiro
T
Maeda
Yutaka
Y
Liu
Michael T H
MT
Yoza
Kenji
K
Kato
Tatsuhisa
T
Yamamoto
Kazunori
K
Mizorogi
Naomi
N
Slanina
Zdenek
Z
Nagase
Shigeru
S
D000218:Adamantane / Q000737:chemistry*; D018360:Crystallography, X-Ray; D037741:Fullerenes / Q000737:chemistry*; D005682:Gadolinium / Q000737:chemistry*; D008697:Methane / Q000031:analogs & derivatives / Q000737:chemistry; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*
D037741:Fullerenes; D009942:Organometallic Compounds; C030011:carbene; C020855:adamantylidene; D005682:Gadolinium; D008697:Methane; D000218:Adamantane