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Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls : new basis sets, geometry of trichloromethyltitanium, and bonding of Bis(cyclopentadienyldicarbonylchromium)
(1989)
Total geometry optimizations are reported for Cr(CO)₆ , HMn(CO)₅ , Fe(CO)₅ , Ni(CO)₄ , Cr(C₆H₆)₂, Fe(C₅H₅)₂ , Ni(C₄H₄)₂, Cr(NO)₄, (C₅H₅)Mn(CO )₃, and (C₆H₆)Cr(CO)₃ . A variety of basis sets were examined, and, based on the ...
Reaction strategies using functionalized polyethylenes as ligands for homogeneous palladium catalysis
(1989)
Diphenylphosphine functionalized ethylene oligomers were used as supports for palladium(0) and palladium(II) catalysts. An advantage of using these ethylene oligomer ligated catalysts was their temperature dependent ...
The preparation and x-ray structural characterization of dinuclear chromium, molybdenum, ruthenium, rhodium, and osmium complexes
(1983)
Eleven new dimeric complexes containing metal-metal bonds have been prepared and structurally characterized by X-ray crystallography. Seven are of the type M(,2)(O(,2)CR)(,4) (M = Cr, Mo, Rh; R = CH(,3), 2-biphenyl, CPh(,3), ...
Surface electrochemical studies of nitrogen-containing compounds, sulfur-containing compounds and iodine chemisorbed at gold
(1990)
The interactions of smooth polycrystalline Au electrodes with 3,6- dihydroxypyridazine (DHPz), 2,3-dihydroxypyridine (DHPy), pentafluorothiophenol (PFT), 2,5-dihydroxy-4-methylbenzylmercaptan (DMBM), and 2,5-dihydroxythiophenol ...
Regioselectivity of the nucleophilic additions and substitutions of 3-(4ʹ,4ʹ-dimethyl-2ʹ-oxazolinyl)pyridine by organolithium compounds
(1978)
Procedures for preparing 3-(4',4'-dimethyl-2'-oxazolinyl)pyridine and 4-(4',4'-dimethyl-2'-oxazolinyl)pyridine were developed. The nucleophilic heteroaromatic addition reactions of 3-(4',4'~ dimethyl-2'-oxazolinyl)pyridine ...
Vibrational spectroscopy and conformational dynamics of small ring molecules
(1982)
Low-frequency infrared and Raman spectra have been recorded and the one-dimensional asymmetric ring-puckering potential energy functions have been determined for 3-phospholene (CH(,2)CH=CHCH(,2)PH),(' )3-phospholene-1-d(,1), ...
The electron density in beryllium intermetallic compounds
(1983)
The electron deformation density of Li(,2)BeF(,4) was investigated with respect to a description of purely covalent bonding. X-ray diffraction data was collected from a single Li(,2)BeF(,4) crystal in the range 0.0 sin ...
Catalytic properties of alkali metal-graphite intercalation compounds
(1983)
Identities, as well as purities, of synthesized alkali metal-graphite intercalation compounds were confirmed by X-ray diffraction methods. Second-stage compounds (MC(,24), M = K, Rb, or Cs) adsorb large amounts of nitrogen ...