The freezing of the cooperative reorientational motions in orientationally disordered (OD) molecular crystals marks the so-called “glassy” transition, which may be considered a lower-dimensional version of the structural glass transition. While structural glasses display both positional and orientational disorder, in fact, in orientational glasses the disorder involves exclusively the orientati...

The title compound, C17H27O8P, was prepared by Michaelis-Arbuzov reaction of ethyl 2-bromo-2-(2,3,4-tri-meth-oxy-phen-yl)acetate and triethyl phosphite. Such compounds rarely crystallize, but single crystals were recovered after the initial oil was left for approximately 10 years. The bond angle of the sp (3)-hybridized C atom connecting the benzene derivative with the phospho unit is widened m...

Many metals or their complexes can catalyze the cyclotrimerization of alkynes to give benzene derivatives.1-9 Among these catalysts, palladium chloride10 and its bis(benzonitrile) complex11 are the most convenient. In these reactions, the yields of benzene derivatives generally depend on the substituents of alkynes. In the past 50 years, the regioand chemoselectivity for the cyclotrimerization ...

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QSPR study on benzene derivatives have been made using recently introduced topological methodology. In this study the relationship between the Randic' (x'), Balaban (J), Szeged (Sz),Harary (H), Wiener (W), HyperWiener and Wiener Polarity (WP) to the thermal energy (Eth), heat capacity (CV) and entropy (S) of benzene derivatives is represented. Physicochemical properties are taken from the quant...

Substituted phenylazo and phenylazoxy compounds were systematically prepared and their anti-androgenic activity was measured in terms of (1) the growth-inhibiting effect on an androgen-dependent cell line, SC-3, and (2) the binding affinity to nuclear androgen receptor. Generally, azo/azoxy compounds showed cell toxicity, and the growth-inhibiting effects on SC-3 cells correlated with the toxic...

above. For example, does each carbon atom of the ring in phenol lack one electron of filling its eight "possible electron positions" or do three of the carbon atoms lack two electrons each while the remaining three carbon atoms have all their "possible electron positions" filled, or is there some other combination? In conclusion, the main purpose of presenting this detailed scale model of the b...

Silanes, Silylbenzenes, Di(silyl)benzenes. Bromo(silyl)benzenes 1,2-Di(silyl)benzene (3). has been prepared in a three-step process starting with the reac­ tion of 1 ,2-dibromobenzene and /?-tolyl(chloro)silane with magnesium in tetrahydrofuran, which affords l,2-bis(p-tolylsilyl)benzene (1) as a stable high-yield intermediate. Compound 1 has been converted into 1 .2-bis(trifluoromethanesulfona...

qspr study on benzene derivatives have been made using recently introduced topological methodology. in this study the relationship between the randic' (x'), balaban (j), szeged (sz),harary (h), wiener (w), hyperwiener and wiener polarity (wp) to the thermal energy (eth), heat capacity (cv) and entropy (s) of benzene derivatives is represented.physicochemical properties are taken from the quantu...

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within...