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Articles 1 - 4 of 4
Full-Text Articles in Physical Sciences and Mathematics
An Ab Initio Study Of The Structures, Vibrational Spectra, And Energetics Of Alshx (X = –1, 0, +1), Sujata Guha, Joseph S. Francisco
An Ab Initio Study Of The Structures, Vibrational Spectra, And Energetics Of Alshx (X = –1, 0, +1), Sujata Guha, Joseph S. Francisco
Chemistry Faculty Research
The ground state of aluminum hydrosulfide, AlSHX (where X = − 1,0, + 1), has been examined using high-level ab initio electronic structure calculations at the CCSD(T) level with an augmented correlation-consistent basis set. The geometries have been optimized up through the aug-cc-pV5Z level and vibrational frequencies calculated using the aug-cc-pV5Z basis set. The energetic properties of AlSH are also examined. The adiabatic ionization potential and electron affinity of AlSH are calculated to be 198.5 and 7.7 kcal mol−1, respectively. Dissociation of AlSH into AlS + H will require 78.2 kcal mol−1 of energy, and the Al-S bond energy is …
Supramolecular Chemistry: A Capstone Course, Adam R. Urbach, Christopher J. Pursell, John D. Spence
Supramolecular Chemistry: A Capstone Course, Adam R. Urbach, Christopher J. Pursell, John D. Spence
Chemistry Faculty Research
A fourth-year capstone course offers students an opportunity to integrate topics covered in the core disciplinary courses, to learn an advanced interdisciplinary topic, and to approach unfamiliar problems and literature. This article describes a fourth-year capstone course designed to incorporate components of faculty lectures, student seminars, and original, hands-on research projects in order to cover the topic of supramolecular chemistry in one semester with unusual depth. This approach should be applicable to other advanced topics in chemistry.
Synthesis And X-Ray Crystal Structure Of [(C5ph5)Crcl(Μ-Cl)2tl]2: An Example Of The Rare M-X-Tli Linkage (X = Halide), K. Brian Davis, T. David Harris, Michael Castellani, James A. Golen, Arnold L. Rheingold
Synthesis And X-Ray Crystal Structure Of [(C5ph5)Crcl(Μ-Cl)2tl]2: An Example Of The Rare M-X-Tli Linkage (X = Halide), K. Brian Davis, T. David Harris, Michael Castellani, James A. Golen, Arnold L. Rheingold
Chemistry Faculty Research
Reaction of solid TlCl with [(C5Ph5)CrCl(m-Cl)]2 in CH2Cl2 solvent yields the monomeric complex (C5Ph5)CrCl(m-Cl)2Tl in 80% isolated yield. The C5H5 and C5Me5 analogues do not react with TlCl suggesting a steric basis for the reaction of the C5Ph5 material. An X-ray crystal structure of [(C5Ph5)CrCl(m-Cl)2Tl]2•2CH2Cl2 was obtained.
Air And Water Free Solid-Phase Synthesis Of Thiol Stabilized Au Nanoparticles With Anchored, Recyclable Dendrimer Templates, John D. Gilbertson, G. Vijayaraghavan, K. J. Stevenson, Bert D. Chandler
Air And Water Free Solid-Phase Synthesis Of Thiol Stabilized Au Nanoparticles With Anchored, Recyclable Dendrimer Templates, John D. Gilbertson, G. Vijayaraghavan, K. J. Stevenson, Bert D. Chandler
Chemistry Faculty Research
Solid-phase synthetic templates for Au nanoparticles were developed using Merrifield resins and polyamidoamine (PAMAM) dendrimers. This synthetic scheme affords the opportunity to prepare metal nanoparticles in the absence of air and water, and it does not necessitate phase transfer agents that can be difficult to remove in subsequent steps. Amine-terminated generation 5 PAMAM (G5NH2) dendrimers were grafted to anhydride functionalized polystyrene resin beads and alkylated with 1,2-epoxydodecane to produce G5C12anch. The anchored dendrimers bound both CoII and AuIII salts from toluene solutions at ratios comparable to those of solution phase alkyl-terminated PAMAM dendrimers. The encapsulated AuIII salts could be reduced …