Abstract Complex [( DIPeP BDI)Ca] 2 (C 6 H ), with a C 2− dianion bridging two Ca 2+ ions, reacts benzene to yield (biphenyl) biphenyl ( BDI=HC[C(Me)N‐DIPeP] ; DIPeP=2,6‐CH(Et) ‐phenyl). The complex was also prepared by reacting ) or reduction of BDI)CaI] KC 8 in presence biphenyl. Benzene‐benzene coupling observed when the deep purple product ball‐milling DIPP BDI)CaI(THF)] K/KI extracted (DIP...

Graphene, a two-dimensional layer of sp(2)-hybridized carbon atoms, can be viewed as a sheet of benzene rings fused together. Three benzene rings can be combined in three different ways, to yield linear anthracene and angular phenanthrene, where the rings share two C-C bonds, and the phenalenyl structure where three C-C bonds are shared between the rings. This third structure contains an uneven...

The benzene–ethene and parallel-displaced (PD) benzene–benzene dimers are the most fundamental systems involving π–π stacking interactions. Several high-level ab initio investigations calculated binding energies of these using coupled-cluster with singles, doubles, quasi-perturbative triple excitations [CCSD(T)] method at complete basis set [CBS] limit various approaches such as reduced virtual...

Temperature dependences of the free energy (F), entropy (S) and heat capacity (C_v) are calculated (P=0) for organic compounds (solid benzene, naphthalene anthracene) by using quasiharmonic approximation. Contributions to those thermodynamic functions due Raman frequencies lattice modes benzene), librational (naphthalene), phonons vibrons (anthracene) taken into account in our calculations. We ...

The effect of molecular architecture of a surfactant, particularly the attachment position of benzene sulfonate on the hexadecane backbone, at the decane-water interface was investigated using atomistic MD simulations. We consider a series of surfactant isomers in the family of alkyl benzene sulfonates, denoted by m-C16, indicating a benzene sulfonate group attached to the mth carbon in a hexad...

background: benzene is one of the important occupational pollutants. there are some reports about the leukemogenic effects related to low-level exposure to benzene. objective: to study the frequency of micronucleus (mn), nucleoplasmic bridge (nb), and nuclear budding (nbud) in the peripheral blood lymphocytes of petrochemical workers with low level exposure to benzene. methods: we enrolled 50 w...

There are two independent zwitterion mol-ecules (A and B) in the asymmetric unit of the title compound, C17H11N3O, which belongs to the family of azo dyes. The dihedral angle between the benzene ring and the naphthalene ring system is 6.99 (6)° in mol-ecule A and 4.38 (6)° in mol-ecule B. The azo group adopts an E conformation with respect to the -N=N- bond and each of the independent mol-ecule...

Nanocarbons were successfully synthesized from benzene (BZ), nitro-benzene (BZ-NO2) and aniline (BZ-NH2) by solution plasma process (SPP).