The structure of the title compound, [RhI(2)(C(3)F(7))(C(27)H(26)P(2))]·CH(2)Cl(2), at 110 (2) K is an unusual example of a structurally characterized square-based pyramidal alkyl complex of rhodium(III). The Rh-C bond is relatively short at 1.996 (6) Å. This short metal-carbon bond length is typical of perfluoro complexes of transition metals and illustrates the enhanced bond strength in these...

In the title Schiff base, C(15)H(13)Br(2)NO, the benzene and phenyl rings form a dihedral angle of 75.18 (13)°. The N=C bond length of 1.263 (6) Å is shorter than of the N-C bond [1.476 (5) Å], indicating a double bond. In the crystal, there is some pseudosymmetry. This occurs because most of the two mol-ecules are centrosymmetrically related. The mol-ecular structure is stabilized by intra-mol...

We have determined the hydrogen-bond geometry in liquid water from 0 to 80 degrees C by combining measurements of the proton magnetic shielding tensor with ab initio density functional calculations. The resulting moments of the distributions of hydrogen-bond length and angle are direct measures of thermal disorder in the hydrogen-bond network. These moments, and the distribution functions that ...

The reaction of a terphenyl tin(ii) compound bearing an η(3) coordinating allyl ligand with adamantyl phosphaalkyne is reported. The quantitative stochiometric reaction towards one product involves an addition of one Sn-Ar bond across the C[triple bond, length as m-dash]P triple bond and formation of a phosphadistannacyclobutene ring. This kinetically favoured product can be isolated in the sol...

The electronic characteristics, including the density of state and bond length, in addition to spectroscopic properties such as IR spectrum Raman scattering, a function frequency Sn10O16, C24O6, hybrid junction (Sn10O16/C24O6) were studied. methodology uses DFT for all electron levels with B3-LYP (Becke level, 3-parameters, Lee–Yang-Parr), 6-311G (p,d) basis set, Stuttgart/Dresden (SDD) using G...

todays applying concrete structures is more usual than other structures which are used in buildings as in most of the world’s countries the application ratio of concrete to steel has increased from 10 to 1. sometimes these structures require strengthening vulnerable members because of deficiency in their loading system in usual and critical conditions. there are different methods for strengthen...

Electroantennogram (EAG) data reflecting response spectra of male pheromone receptors have been analyzed for 16 species of Noctuidae (Lepidoptera). The test compounds included 100 pheromone analogues, altered in chain length, in position and configuration of double bond(s), and in the functional end groups. On comparison of amounts of substance required to elicit an equivalent EAG response, a s...

This article discusses and compares various methods for defining and measuring radical stability, including the familiar radical stabilization energy (RSE), along with some lesser-known alternatives based on corrected carbon-carbon bond energies, and more direct measures of the extent of radical delocalisation. As part of this work, a large set of R-H, R-CH(3), R-Cl and R-R BDEs (R = CH(2)X, CH...

When a chemical bond is broken in a direct dissociation reaction, the process is so rapid that it has generally been considered instantaneous and thus unmeasurable. However, the bond does persist for times on the order of 10(-13) seconds after the photon has been absorbed. Femtosecond (10(-15) second) laser techniques can be used to directly clock this process, which describes the dynamics of t...

We show that the different bond orders of individual carbon-carbon bonds in polycyclic aromatic hydrocarbons and fullerenes can be distinguished by noncontact atomic force microscopy (AFM) with a carbon monoxide (CO)-functionalized tip. We found two different contrast mechanisms, which were corroborated by density functional theory calculations: The greater electron density in bonds of higher b...