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Full-Text Articles in Physical Sciences and Mathematics
Model For The Co Poisoning Of Hydrodesulfurization Catalysts. Synthesis And Structure Of {Ru(Co)[Pph2sc12h7)]2cl2}.2ch2br2, Mark Draganjac, Thomas B. Rauchfuss, Arnold L. Rheingold
Model For The Co Poisoning Of Hydrodesulfurization Catalysts. Synthesis And Structure Of {Ru(Co)[Pph2sc12h7)]2cl2}.2ch2br2, Mark Draganjac, Thomas B. Rauchfuss, Arnold L. Rheingold
Journal of the Arkansas Academy of Science
The treatment of {Ru[(PPh2SC12H7)]2Cl2} with CO at ambient conditions results, after work up, in the isolation of the monocarbonylated species {Ru(CO)[(PPh2SC12H7)]2Cl2}, I. Crystals of I(C51H38Br4Cl20P2RuS2; F.W. = 1284.6) are triclinic; Ppa= 11.587(3), b = 13.010(4), c = 17.309(4) A, a = 93.32(2)°, p = 106.51(2)°, y = 91.29(2)°; Z= 2; V=2495(1) A';d^,. = 1.709 gem 1 X(MoKa) = 0.71073 A, = 37.7 cm 1 ;R =0.0748; Rw = 0.0714 for 4141 unique reflections. The geometry about the Ru(II) center is pseudooctahedral, with the phosphine ligands in the trans configuration. The Ru-S bond distance is 2.425(3) A.
4-Substituted Anilides Of 2,6- And 5,6- Dichlorolicotinic Acid. Potential Agricultural Agents, Frank L. Setliff, Nikhil G. Soman
4-Substituted Anilides Of 2,6- And 5,6- Dichlorolicotinic Acid. Potential Agricultural Agents, Frank L. Setliff, Nikhil G. Soman
Journal of the Arkansas Academy of Science
A series of 4-substituted anilides of 2,6- and 5,6 dichloronicotinic acid were prepared. The acids were first converted to their acid chlorides, which were in turn treated with the appropriate 4-substituted aniline in chloroform. A total of 16 anilides was thus prepared, and their structures confirmed. These compounds were prepared for testing as possible herbicidal, pesticidal or fungicidal agents
Hammett Correlations In The 1H Nmr Spectra Of Some N-Arlydihalonicotinamides, Frank L. Setliff, Nikhil G. Soman, Jody Z. Caldwell, Debra L. Rogers
Hammett Correlations In The 1H Nmr Spectra Of Some N-Arlydihalonicotinamides, Frank L. Setliff, Nikhil G. Soman, Jody Z. Caldwell, Debra L. Rogers
Journal of the Arkansas Academy of Science
Excellent linear correlations of amide proton chemical shifts (Snh) (in DMSO-d6 ) with Hammett substituent constants (5) for a series of 4-substituted anilides of four dihalonicotinic acid systems were observed. Dihalonicotinanilides with chlorine in the pyridine 2 - position exhibited a more positive slope in a Hammett plot of S^H vs - aR- where R is the substituent in the 4 position of the benzene ring. This observation is explained in terms of the inductive effect of chlorine which results in a slightly more acidic amide proton, which in turn causes an enhanced hydrogen bonding tendency to solvent. Four disubstituted …
Scf-Mo And Monte Carlo Calculations Of Poly (Dimethylsiloxane), Shannon H. Brownfield, Jerry A. Darsey
Scf-Mo And Monte Carlo Calculations Of Poly (Dimethylsiloxane), Shannon H. Brownfield, Jerry A. Darsey
Journal of the Arkansas Academy of Science
Self-consistent-field molecular orbital calculations are being used more and more extensively in determining the energies and properties of various confirmations of polymers. We are using the semi-quantum mechanical procedure MNDO (moderate neglect of differential overlap) to obtain various rotational conformations states of poly(dimethylsiloxane) (PDMS). Before calculation of these states, the molecule is geometrically optimized by using the ab initio procedure Guassian 86 at the 3-21G basis set level. Generations of 144 rotational states by rotating about two bonds simultaneously in increments of 30° were created. A potential energy surface was created from which Monte Carlo generated several polymer characteristics including …