Thienyl directed polyaromatic C-C bond fusions: S-doped hexabenzocoronenes.
نویسندگان
چکیده
With a view to combining the desirable electronic and photochemical properties of hexabenzocoronene (HBC) and the C-C bond forming capabilities of thiophenes, 1-(3-thienyl)-2,3,4,5,6-penta(4-tert-butyl-phenyl)benzene (1) was oxidised using FeCl(3). The resulting products, superaromatic thiophene (2) and its 5,5'-dimer (3), are S-HBC systems and provide a new pair of spectral comparators.
منابع مشابه
(E)-3-(4-Chlorophenyl)-1-(2-thienyl)prop-2-en-1-one
The title compound, C(13)H(9)ClOS, adopts an E configuration with respect to the C=C double bond of the propenone unit. The thienyl and benzene rings are slightly twisted from each other, making a dihedral angle of 6.38 (3)°. An intra-molecular C-H⋯O hydrogen bond generates an S(5) ring motif. A weak inter-molecular C-H⋯O inter-action, a short intra-molecular S⋯O contact [2.932 (2) Å] and two π...
متن کاملSolid State and Solution Conformation of Di-2-thienyl Telluride: X-Ray Structure and Dipole Moment Studies
The crystal and molecular structure of di-2-thienyl telluride was determined by X-ray analysis. Crystal (monoclinic) data were: a = 9.526(4), b = 6.252(4), c — 16.302(5) Ä; ß = 97.29(3)°, Z = 4, space group P 2 x/c. Hydrogen bonds are absent and only van der Waals forces are deter mining crystal packing. The Crlng—Te bond distances suggest little conjugation of Te atom with the rings. Comparis...
متن کاملC-H Bond activation and C-C bond formation in the reaction of 2,5-dimethylthiophene with TpMe2Ir compounds.
The bulky 2,5-dimethylthiophene (2,5-Me2T) reacts at 60 degrees C with TpMe2Ir(C2H4)2 to give a mixture of two TpMe2Ir(III) hydride products, 3 and 4, that contain in addition a thienyl (3) or a thienyl-derived ligand (4). For the generation of 3 only sp2 C-H activation is needed, but the formation of 4 requires also the activation of an sp3 C-H bond and the formation of a new C-C bond (between...
متن کاملاثر آلاییدگی درون وجهی اتم کربن بر طول پیوندها در ساختار بلوری fcc-C60
Single and double equilibrium bond lengths of the fcc-C60 crystal were calculated in the absence and presence of the endohedral C atom as an impurity doped into each C60 cluster, i.e., fcc-C@C60, by means of fully-relaxed self-consistent calculations within the density functtional theory (DFT) employing the full potential-augmented plane waves plus local orbital (FP-APW+lo) method. The result s...
متن کاملThe NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage
ABSTRACT The main objective of this work is to investigate the adsorption of Pyrrole 2-carboxylic acid (PCA) from O, N and C sites on the surface of pristine and Ni doped B12N12 nano cage by using density functional theory (DFT). The results of adsorption energy indicate that the adsorption of PCA on the surface of B12N12 and NiB11N12 is exoth...
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 47 12 شماره
صفحات -
تاریخ انتشار 2011