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Creator | Title | Description | Subject | Date |
201 |
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Wight, Charles Albert | Thermal dissociation kinetics of solid and liquid ammonium nitrate | Thermogravimetry has been used to study the kinetics of the thermal dissociation of solid and liquid ammonium nitrate. Model-fitting and model-free kinetic methods have been applied to the sets of isothermal and nonisothermal measurements to derive kinetic characteristics of the processes. The appli... | Thermal dissociation kinetics | 2001 |
202 |
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Stang, Peter J. | One-dimensional coordination polymers based on first-row transition metals: a solid-state study of weak backbone interactions | We present further data on the solid-state structures of one-dimensional coordination polymers based upon dipositive transition metal hexafluoroacetylacetonate (hfacac) complexes. A variety of linking subunits are employed in order to investigate and probe the relatively weak interactions that make... | Hexafluoroacetylacetonate complexes; Coordination polymers | 2001 |
203 |
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Miller, Joel Steven; Epstein, Arthur J. | Dynamic spin fluctuations in the molecular ferromagnet (DMeFc)(TCNE) | The static and dynamic magnetic properties of the molecular ferromagnet decamethylferrocenium tetracyanoethenide (DMeFc)(TCNE) are studied via the muon-spin-relaxation technique. Spontaneous order is observed in the ferromagnetic ground state below 5 K, while the muon-spin-relaxation rate in the par... | Magnetic; Magnetization; Paramagnetic | 2001 |
204 |
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Voth, Gregory Alan | Further developments in the local-orbital density-functional-theory tight-binding method | Quantum-mechanical methods have become increasingly reliable as a complementary tool to experimental research. A variety of methods exist ranging in complexity from semiempirical methods to density-functional-theory (DFT) methods [using either the local-density approximation (LDA) or the generalize... | Sankey-Niklewaki method; Fireball method; Pseudopotential; Exchange-correlation interactions; Gallium nitride; H20 dimer; Copper; gas-phase HMX | 2001-10 |
205 |
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Armentrout, Peter B. | Reactions of Pt+ with H2, D2, and HD: effect of lanthanide contraction on reactivity and thermochemistry | A guided ion beam tandem mass spectrometer is used to examine the kinetic energy dependence of reactions of the third-row transition metal cation, Pt1, with molecular hydrogen and its isotopologs. A flow tube ion source produces Pt1 ions in its electronic ground state term and primarily in the lowes... | Metal clusters; Platinum ions; Lanthanide contraction; Bond energies; Endothermic reactions; Transition metal ions; Dihydrogen | 2002 |
206 |
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Morse, Michael David | Rotationally resolved spectra of Pt? | High-resolution laser-induced fluorescence spectroscopy has been used to investigate the 18 163 cm21 band of Pt2 in a supersonically cooled molecular beam. Rotational constants of the ground and excited states were extracted from the rotationally resolved spectrum and determined to be B0'=0.031 754(... | | 2002 |
207 |
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Miller, Joel Steven; Epstein, Arthur J. | Photoinduced magnetization in the organic-based magnet Mn(TCNE)x.y(CH2Cl2) | Photoinduced magnetization in a magnet based on organic species is reported for the first time. Upon optical excitation in the blue region of spectrum, Mn (tetracyanoethylene)x .y(CH2Cl2) (x=2,y-0.8) exhibits increased magnetic susceptibility at temperatures as high as 75 K, accompanied with photo-i... | Absorption; Magnetic; Infrared | 2002 |
208 |
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Miller, Joel Steven | Novel coordination of dicyanamide, [N(CN)2]-: preferential binding of the amide nitrogen | CoII[N(CN)2]2(H2BiIm)2, 1, and {CoII[N(CN)2](H- 2BiIm)2}Cl, 2 (H2BiIm = 2,2'-biimidazole) have been structurally, spectroscopically, and magnetically characterized with both containing dicyanamides bound in unprecedented manners; namely, solely via the amide nitrogen for 1, and via an imide N form... | Magnetic; Dicyanamide; Electron | 2002 |
209 |
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Miller, Joel Steven; Epstein, Arthur J. | Optical control of magnetic order in molecule-based magnet Mn(TCNE)x.y(CH2Cl2) | Studies of photoinduced magnetization and photoinduced absorption in molecule-based magnet Mn(TCNE)x•y(CH2Cl2) (x=2, y-0.8, TCNE=tetracyanoethylene) are reported. Optical excitation in the blue region of spectrum leads to increased magnetization, accompanied by changes in the electronic spectrum... | Spectrum; Absorption; Illumination | 2002 |
210 |
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Armentrout, Peter B. | Reactions of Ta+ and W+ with H2, D2, and HD: effect of lanthanide contraction and spin-orbit interactions on reactivity and thermochemistry | A guided ion beam tandem mass spectrometer is used to examine the kinetic energy dependence of reactions of the third-row transition metal cations, Ta1, and W1, with molecular hydrogen and its isotopologs. A flow tube ion source produces Ta1 and W1 ions in their electronic ground state term and p... | Metal clusters; Tantalum ions; Tungsten ions; Lanthanide contraction; Bond energies; Endothermic reactions; Transition metal ions; Dihydrogen | 2002 |
211 |
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Miller, Joel Steven | 1H NMR investigation of the magnetic spin configuration in the molecule-based ferrimagnet [MnTFPP][TCNE] | 1H NMR line-shape measurements have been performed in the linear chain molecule-based ferrimagnet [MnTFPP][TCNE].xPhMe (TFPP=tetrakis(4-fluorophenyl)porphinato; TCNE=tetracyanoethylene) as a function of temperature. Hyperfine shifts of opposite sign were observed indicating the presence of two oppo... | Magnetization; Magnets; Paramagnetic | 2002 |
212 |
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Morse, Michael David | Resonant two-photon ionization spectroscopy of NiC | A spectroscopic investigation of jet-cooled diatomic NiC has revealed a complex pattern of vibronic levels in the wave number range from 21 700 to 27 000 cm-1. Of the more than 50 vibronic bands observed, 31 have been rotationally resolved and analyzed. All are ?'=0+??"=0+ transitions, consistent wi... | | 2002 |
213 |
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Miller, Joel Steven | On the existence of long C-C bonds between pairs of anions which repel: when and why? A test case on the [TCNE]22- dimers found in ionic crystals* | Many of the Cm[TCNE]n (C = cation) salts have intradimer C-C interactions in the range of 2.9 to 3.5 A(°) and show the electronic fingerprints associated with C-C bond formation (IR and UV spectra, magnetic properties, structural changes), despite the fact that two [TCNE].- anions should repel each... | Electron; Spectroscopic; Salts | 2002 |
214 |
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Armentrout, Peter B. | Guided ion beam studies of the reactions of Vn+ (n = 2-13) with D2: cluster-deuteride bond energies as a chemical probe of cluster electronic structure | The kinetic energy dependencies of the reactions of Vn+ (n=2 - 13) with D2 are studied in a guided ion beam tandem mass spectrometer. Products observed are VnD1 for all clusters and VnD2 + for n=4 - 13. All reactions are observed to exhibit thresholds, except for formation of VnD2 + for n =4,5,7,9,1... | Metal clusters; Vanadium ions; Bond energies; Endothermic reactions; Collision-induced dissociation; Transition metal ions; Deuterides | 2002 |
215 |
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Morse, Michael David | Optical spectroscopy of tungsten carbide (WC) | Resonant two-photon ionization spectroscopy has been used to study the diatomic transition-metal carbide, WC. A low-resolution scan revealed a five-member vibrational progression beginning with the 0-0 band at 17 585 cm-1. Analysis of this progression yielded a vibrational frequency of ?'e8(184W12C)... | | 2002 |
216 |
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Miller, Joel Steven | Isolation of two salts from the reduction of TCNE with [(n-C3H7)4N]I. A further example of long 2.87 Ã pi-C-C bonding in pi-[TCNE]22- | Reduction of tetracyanoethylene, TCNE, with tetrakis(n-propyl)ammonium iodide, [Pr4N]I, results in a new example of long pi*-CC bonded pi-[TCNE]22- dimers with a 2.870(4) A(°) intradimer CC bond, which is structurally and spectroscopically characterized. This reaction also results in isolation of ... | Synthesis; Intradimer; Crystals | 2002 |
217 |
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Armentrout, Peter B. | Thermochemistry of small cationic iron-sulfur clusters | The kinetic energy dependences of the reactions of Fen 1 with COS (n=2-6) and CS2 (n=2-5) are studied in a guided-ion beam tandem mass-spectrometer. The main products arise from sulfur transfer and subsequent losses of Fe atoms. In the case of CS2 , this reactant also formally replaces one Fe atom ... | Iron-sulfur clusters; Endothermic reactions; Bond energy | 2002 |
218 |
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Armentrout, Peter B. | Reactions of Ta+, W+, and Pt+ with H2, D2, and HD: effect of lanthanide contraction and spin-orbit interactions on reactivity and thermochemistry | There have been extensive experimental studies of the reactions of atomic first-row and second-row transition metal cations with dihydrogen and its isotopic analogues in our group. For third-row transition metal cations, however, only La+ and Lu+ systems have been studied experimentally although t... | Lanthanide contraction; Spin-Orbit interactions; Reactivity | 2002 |
219 |
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Miller, Joel Steven | Charge transfer complexes of 2,4,6-tricyano-s-triazine with tetrathiafulvalene (TTF) and N,N,N' ,N'-tetramethyl-p-phenylenediamine (TMPD) | Reaction of 2,4,6-tricyano-s-triazine (TCT) with tetrathiafulvalene (TTF) and N,N,N',N'-tetramethylp-phenylenediamine (TMPD) leads to 1 : 1 charge transfer complexes. The crystal structures of the TTF[TCT], as well as the decomposition product due to hydrolysis of the [TMPD][TCT], i.e. HTMPD]+[2,4-d... | Electron; Solution; Hydrolysis | 2002 |
220 |
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Miller, Joel Steven | Innovation in crystal engineering | The first CrystEngComm discussion meeting on crystal engineering has demonstrated that the field has reached maturity in some areas (for example: design strategies, characterization of solid compounds, topological analysis of weak and strong non-covalent interactions), while the quest for novel pro... | Research; Design; Molecular | 2002 |
221 |
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Wight, Charles Albert | Thermal activation of the high explosive NTO: sublimation, decomposition, and autocatalysis | Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) show that the heating of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) leads to competitive sublimation and condensed-phase exothermic decomposition. Model-free isoconversional analysis has determined activation energies... | NTO; Thermal activation; Differential scanning calorimetry; Exothermic decomposition; Competitive sublimation | 2002 |
222 |
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Wight, Charles Albert | Thermal decomposition of a melt-castable high explosive: isoconversional analysis of TNAZ | The thermal decomposition kinetics of the high explosive 1,3,3-trinitroazetidine (TNAZ) have been measured by nonisothermal differential scanning calorimetry (DSC). Samples of TNAZ in open pans and pierced pans undergo mainly melting (?Hfus = 27 ± 3 kJ mol-1) and vaporization (?Hvap = 74 ± 10 kJ m... | Thermal decomposition; Melt-castable high explosive; TNAZ; Nonisothermal differential scanning calorimetry; Exothermic decomposition | 2002 |
223 |
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Miller, Joel Steven; Epstein, Arthur J. | Viscous behavior in a quasi-1D fractal cluster glass | The spin glass transition of a quasi-1D organic-based magnet ([MnTPP][TCNE]) is explored using both ac and dc measurements. A scaling analysis of the ac susceptibility shows a spin glass transition near 4 K, with a viscous decay of the thermoremanent magnetization recorded above 4 K.We propose an ex... | Transition; Magnet; Magnetization | 2002 |
224 |
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Armentrout, Peter B. | Guided ion beam studies of the reaction of Nin+ (n=2-16) with D2: nickel cluster-deuteride bond energies | The kinetic-energy dependences of the reactions of Nin+ (n=2-16) with D2 are studied in a guided ion beam tandem mass spectrometer. The products observed are NinD+ for all clusters and NinD2 + for n=5-16. Reactions for formation of NinD+ are observed to exhibit thresholds, whereas cross sections for... | Metal clusters; Nickel ions; Bond energies; Deuterides; Collision-induced dissociation; Endothermic reactions | 2002 |
225 |
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Armentrout, Peter B. | Thermodynamics of ammonia activation by iron cluster cations: guided ion beam studies of the reactions of Fen+ (n=2-10,14) with ND3 | The kinetic energy dependences of the reactions of Fen 1 (n52 - 10,14) with ND3 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-10 eV. Dehydrogenation of ammonia to form FenND1 is found to be efficient and exothermic for n54 in agreement with previous FT-ICR stu... | | 2003 |