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51 Crystal engineering or crystal mysticism? A case studyThe de novo design and synthesis of a crystalline motif of a substance is a holy grail for a growing number of organic and inorganic synthetic chemists. Achievement of targeted architectural arrangements is less reliable as the complexity increases. Simple substitution of, for example, alkyl penda...Synthesis, Structure, Chemistry2005
52 Crystal structure and magnetic properties of [Fe{N(CN)2}2(MeOH)2] a 2-D layered network consisting of hydrogen-bonded 1-D chainsA novel 2-D layered network structure [Fe{N(CN)2}2(MeOH)2] was synthesized and characterized by X-ray crystallography, vibrational, and magnetic susceptibility. The neutral 2-D stair-like framework consists of hydrogen-bonded infinite 1-D {Fe[N(CN)2]2} ribbons that pack in a staggered arrangement wh...Solids; Dicyanamide; Ordering1999
53 Decamethylchromocenium tetracyanoethenide, + [Cr(C5Me5)2]:.+[TCNE].-: a molecular ferromagnet with Tc=3.65 KThe electron-transfer salt 4[Cr(C5Me5)2] + [TCNE].-(TCNE = tetracyanoethylene) has been prepared and structurally characterized by single-crystal X-ray diffraction. It possesses a solid-state motif of parallel 1D chains of alternating radical cations and anions similar to, but not isostructural to, ...Magnetic; Electron transfer; Coupling1993
54 Decamethylnickelocenium hydrogen-7,7,8,8-tetracyanoperfluoro-p-quinodimethandiide: isolation of the protonated weak base [HTCNQF4]-Unprecedently stable hydrogen-7,7,8,8- tetracyanoperfluoro-p-quinodimethandiide, [HTCNQF4]-, is isolated and crystallographically characterized.Structure; Electron; Transfer1996
55 Detection of nonpolar lons in 2?3/2 States by Radioastronomy via Magnetic Dipole TransitionsThe possibility of magnetic dipole-induced pure rotational transitions in the interstellar medium is investigated for symmetric Hund?s case (a) linear molecules, such as H-C?C-H+(X~2?3/2u), CO2+ (X~2?3/2g), H-C?C-?C-H+ (X~2?3/2g), and N3 (X~2?3/2g). These species lackan electric dipole moment and th...2011
56 Dimetallic complexes derived from a novel dinucleating chelating symmetric triazole ligand; crystal strcutrue,magnetic properties and ESR study of Bis[μ-3,5-diacetlyamino-1,2,4-triazolato-O',N1,N2,O"]bis[nitrato)(aqua)-copper(II)]Reaction of 3,5-diacetylamino-1,2,4-triazole (Hdaat) with copper(II), nickel(II) and cobalt(II) salts yields dinuclear co-ordination compounds, which were spectroscopically characterized. The crystal and molecular structure of one of the compounds, bis[u-3,5-diacetylamino-1,2,4-triazolato-0'_x0001_,...Susceptibility; Orbitals; Compounds1999
57 Dinuclear iron(II) complex, [(TPyA)FeII(THBQ 2-)FeII(TPyA)](BF4)2 [TPyA = tris(2-pyridylmethyl)amine; THBQ2- = 2,3,5,6-tetrahydroxy-1,4- benzoquinonate] exhibiting both spin crossover with hysteresis and ferromagnetic exchangeDinuclear [(TPyA)FeII(THBQ22)FeII(TPyA)](BF4)2 (1) possesses hydrogen bonding interactions that form a 1-D chain, and p-p interactions between the 1-D chains that give rise to a 2-D supramolecular-layered structure, inducing hysteresis in the spin crossover behavior; 1 has shown spin crossover behav...Dinuclear complexes2008
58 Direct ab initio dynamics studies of N + H2<-->NH + H reactionKinetics of the N+H2<-->NH+H reaction have been studied using a direct ab initio dynamics method. Potential energy surface for low electronic states have been explored at the QCISD/ cc-pVDZ level of theory. We found the ground-state reaction is N(4S)+H2-->NH(3Σ-)+H. Thermal rate constants for this ...Ab initio dynamics; Potential energy surfaces; Minimum energy path; Ground-state reaction; Rate constants2000
59 Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with fluoromethanesA direct ab initio dynamics study on the gas-phase reactions of atomic hydrogen with different fluoromethanes has been carried out. The thermal rate constants were calculated using canonical variational transition state (CVT) theory augmented by multidimensional semiclassical zero and small curvatur...Hydrogen abstraction reactions; Gas-phase reactions; Fluoromethanes; Thermal rate constants; Moller?Plesset perturbation theory; Hybrid density functional theory1999
60 Direct evidence of electron spin polarization from an organic-based magnet: [FeII(TCNE)(NCMe)2][FeIII Cl4]Direct evidence of an organic-based magnet with a finite electron spin polarization at the Fermi edge is shown from spin-resolved photoemission of the [FeII(TCNE)(NCMe)2][FeIIICl4] organic-based magnet. The 23% majority-based spin polarization at the Fermi edge is observed at 80 K in zero applied fi...Organic-based magnets; Electron spin polarization2009-05
61 Dispersed fluorsecence spectroscopy of AINi, NiAu, and PtCuDispersed fluorescence studies of AlNi, NiAu, and PtCu have been performed, providing spectroscopic information about the ground and low-lying excited electronic states. Vibrational frequencies are reported for the ground X 2?5/2 state of all three molecules. In the case of AlNi, fluorescence to all...2003
62 Dispersed fluorsecence spectroscopy of jet-cooled AgAu and Pt?Dispersed fluorescence spectroscopy has been used to study jet-cooled AgAu and Pt2 . Fluorescence resulting from the excitation of five bands of the A?X 1?+ system of AgAu was dispersed, and 51 measured ground state vibrational levels were fit to provide ground state vibrational constants of ?"e=198...2001
63 Dissociative charge transfer reactions of Ar+, Ne+, and He+ with CF4 from thermal to 50 eVGuided ion-beam techniques are used to measure the cross sections for reaction of CF4 with Ar+, Ne+, and H e + from thermal to 50 eV. Dissociative charge transfer followed by successive loss of F atoms are the major processes observed. Only CFx+ (x = 1,2,3) products are observed in the reactions of ...Ion-molecule reactions; Transfer reactions; Carbon tetrafluoride; Rare gas ions; Exothermic reactions; Endothermic reactions; Plasma systems1990
64 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; Paramagnetic2001
65 Effect of disorder on the linear and nonlinear magnetic susceptibilities of two manganeseporphryin-based magnetsWe analyze the effects of disorder on the magnetic properties of two manganeseporphyrins, [MnTPP][TCNE] •. x(o-DCB) and [MnTPP][TCNE] . • y(o-Xy) and (TPP=meso-tetraphenylporphyrinato, TCNE=tetracyanoethylene, o-Xy=o-xylene, o-DCB=o-dichlorobenzene, x<_3,y<_1). We present data for the in- ...Magnetization; Ferrimagnetic; Spins1997
66 Effect of kinetic and electronic energy on the reactions of Cr+ with H2, HD, and D2The reactions of atomic chromium ions with H2 , HD, and D2 are examined using guided ion beam tandem mass spectrometry. The ground electronic state (6S) is found to react inefficiently. The thresholds of these data are analyzed to yield a 0 K bond dissociation energy for CrH+ of 1.37 ± 0.09 eV (31...Chromium ions; Hydrogen; Deuteride; Bond energy1987
67 Effect of kinetic and electronic energy on the reactions of Mn+ with H2, HD and D2Reactions of several electronic states of Mn+ with H2, HD, and D2 have been examined using guided ion beam mass spectroscopy. The excitation function for the ground state of Mn+ ( 75) has two regions: one of very low reactivity at threshold and another more efficient pathway at higher energies. In ...Ion-molecule reactions; Translational energy; Bond energy; Threshold behavior; Endothermic reactions; Metal ions; Manganese; Hydrogen1986
68 Effect of solvent on the magnetic properties of the high-temperature V[TCNE]x molecule-based magnetThe different magnetic behaviors of the V[TCNE]x (TCNE=tetracyanoethylene) magnet prepared via the reaction of TCNE and V(CO)6 in CH2Cl2 and the solvent-free chemical vapor deposition (CVD) of TCNE and V(CO)6 onto a glass substrate were determined. It was shown that the presence of noncoordinating C...Magnetization; Molecule2001
69 Effect of thermal annealing on the ferrimagnetic behavior and ordering of the [MnTXPP]+[TCNE].-.solv (X=F, Cl, Br, I; solv = PhMe, CH2Cl2) family of magnets+5,10,15,20-Tetrakis(4-fluorophenyl)porphyrinatomanganese(III) tetracyanoethenide, [MnTFPP][TCNE], 1F, 5,10,15,20-tetrakis(4-bromophenyl)porphyrinatomanganese(III) tetracyanoethenide, [MnTBrPP][TCNE], 1Br, and 5,10,15,20-tetrakis(4-iodophenyl)porphyrinatomanganese(III) tetracyanoethenide, [MnTIPP][T...Magnetic; Coupling2000
70 The effects of various metal ions on the folding of G-quadruplexesDivalent metal cations inhibit the folding of G-QuadruplexesG-Quadruplex; Divalent cations; Metal ions; Nucleic acids; Guanine; Tetrads2015-03-31
71 Elastic properties of (N(CH3)3H) (I) (TCNQ)We present the results of a study of the temperature dependence of the Young's modulus and internal friction of (N(CH3 )3H)(I)(TCNQ). The Young's modulus was measured in a direction parallel to the TCNQ (tetracyanoquinodimethane) stacking axis using a vibrating reed technique. The results confirmed ...Metal-like, Conductivity, Magnetic1979
72 Electron impact ionization cross section of metastable N2(A Σu+)Extensive studies of electron impact cross sections have been carried out both experimentally and theoretically for a number of ground state atoms and molecules.1 In general, as the electron energy is increased, such cross sections rise from a threshold at the ionization potential to a peak at an e...Ion beam; Nitrogen1981
73 Electron spin resonance investigation of Sc?+ in neon matrices and assignment of its ground electronic state as X ???. comparison with theoretical calculationsThe discandium radical cation, Sc+2 , has been isolated in neon matrices at 4 K and studied by electron spin resonance (ESR) spectroscopy and theoretical methods. It was produced by the x-irradiation of neon matrix samples containing neutral ScZ which was formed by trapping the products generated fr...1993
74 Electron-spin resonance studies of the titanium cation (Ti+,3d?, ?F) in rare gas matrices at 4 K: A crystal field interpretationElectron-spin resonance studies of laser-ablated titanium metal isolated in neon and argon display an intense feature which exhibits a symmetric, narrow line and a large matrix-dependent g shift. On the basis of a number of experiments, this is assigned to a matrix isolated 3d3,4F Ti+ ion in an octa...1996
75 Electronic publication of theses and dissertationsFor many years, the university has required its doctoral students to print and publish their dissertations. After a dissertation has been approved for release by the Graduate School thesis editors and the student has been approved for graduation, the university sends one copy of the manuscript to Pr...Electronic publication; Theses; Dissertations2010
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