Axis-dependent magnetic behavior of C60 and C60(10+). consequences of spherical aromatic character.
نویسنده
چکیده
The magnetic response of C60 has been studied and compared to its spherical aromatic counterpart C60(10+), focusing on the overall and local shielding tensors. A high axis dependence behavior at the outside region of the structure is characterized, unravelling a characteristic pattern of the local chemical shift anisotropy as a consequence of the spherical aromatic behavior.
منابع مشابه
Chemistry of the fullerenes: the manifestation of strain in a class of continuous aromatic molecules.
Within the wr-orbital axis vector theory, the total rehybridization required for closure of the fullerenes is approximately conserved. This result allows the development of a structure-based index of strain in the fullerenes, and it is estimated that about 80 percent of the heat of formation of the carbon atoms in C60 may be attributed to a combination of v strain and steric inhibition of reson...
متن کاملThe inside story of fullerene anions: a 3He NMR aromaticity probe.
A fundamental chemical question concerning the fullerenes involves their aromatic nature. For many reasons, it is impossible to experimentally obtain anything that is similar to a resonance energy for a fullerene. We must therefore rely on information obtained from magnetic properties. Since fullerenes are borderless polycyclic conjugated systems with internal cavities, it is possible to study ...
متن کاملOn the Radical Anion Spectra of Fullerenes C60 and C70
The radical anion spectra of C60 and C70 can be easily generated and studied in primary aliphatic amines. In these conditions the C60• and C70• species are accompanied by the dianions C60 and C70. In the near infrared region the electronic transitions at 1075, 1058 and 991 nm were assigned to C60• while those at about 1020-1030 nm and at 933 nm were assigned to the fullerene dianion C60 . The e...
متن کاملHydrogen-Driven Cage Unzipping of C60 into Nano-Graphenes
Annealing of C60 in hydrogen at temperatures above the stability limit of C-H bonds in C60H x (500-550 °C) is found to result in direct collapse of the cage structure, evaporation of light hydrocarbons, and formation of solid mixture composed of larger hydrocarbons and few-layered graphene sheets. Only a minor part of this mixture is soluble; this was analyzed using matrix-assisted laser desorp...
متن کاملElectron conductive three-dimensional polymer of cuboidal C60.
Single crystals of three-dimensional (3D) C60 polymer were prepared by the topotactic conversion of two-dimensional (2D) C60 polymer single crystals at a pressure of 15 GPa at 600 degrees C. The x-ray single crystal study revealed that the 3D C60 polymer crystallized in a body centered orthorhombic space group Immm, and spherical C60 monomer units were substantially deformed to rectangular para...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Chemical communications
دوره 51 51 شماره
صفحات -
تاریخ انتشار 2015