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126 Miller, Joel StevenPreparation and characterization of square-planar tetrakis(cyanoacetylide) complexes: [MII(C=C-C=N)4]2- (M = Ni,Pd, Pt)Complexes [MII(C=C-=N)4]2 - (M = Ni, Pd, Pt) are prepared for the first time and the structure of [NEt4]2[Ni(C=C-C=N)4] is determined to have a square-planar geometryBonding; Structure; Ligand1996
127 Miller, Joel StevenCharacterization of novel TCNQ and TCNE 1 : 1 and 1 : 2 salts of the tetrakis(dimethyamino) ethylene dication, [{(CH3)2N}2C-C{N(CH3)2}2]2+Addition of TCNQ to a solution of tetrakis(dimethylamino)ethylene in MeCN produces the salt [TDAE][TCNQ]2; the dipositive cation, [{(CH3)2N}2C-C{N(CH3)2}2]2+, is nonplanar, with a dihedral angle of 63.9(o), while the TCNQ anions crystallize as [TCNQ]2 2- dimers with an interplanar separation of 3.1...Electron; Oxidations; Transfer1996
128 Morse, Michael DavidResonant two-photon ionization spectroscopy of the 13-electron triatomic Si2NResonant two-photon ionization spectra of 28Si2N, 28,29Si2N, and 28,30Si2N have been collected between 32 000 cm-1 and 36 000 cm-1. A fit of the rotationally resolved spectrum of the most intense band of 28Si2N at 34 314 cm-1 reveals the transition to be 2?+u ? X~ 2IIg,1/2- A molecular orbital analy...1996
129 Miller, Joel Steven; Epstein, Arthur J.Quest for molecule-based magnetsIn the past decade a new class of magnets possessing spins on organic species have been discovered and studied. These magnets can be fabricated at room temperature and may enable useful devices and/or processes. Herein we discuss several of the mechanisms that can enable the stabilization of magn...Mechanisms; Ferromagnetic; Spin coupling1996
130 Miller, Joel StevenTwo-dimensional molecular-based ferrimamagnets incorporating decamethylmetallocenium cationsFour new molecular-based magnets have been synthesized, and their magnetic properties have been investigated in detail. Their formulae are [M'(C5Me5)2]2M2[Cu(opba)]3.(DMSO)x(H20)y with M' = Fe, M = Mn, x = 5, y = 4 (1), M' = Fe, M = Co, x = 6, y = 4 (2), M' = Co, M = Mn, x = 5.5, y = 4 (3) and M' = ...Magnetic; Compounds1996
131 Morse, Michael DavidElectron-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
132 Stang, Peter J.Supramolecular chemistry and molecular design: self-assembly of molecular squaresModem supramolecular chemistry has been described as organized polymolecular systems held together by noncovalent interactions and represents one of the major frontiers in the chemical sciences.'-' At present the field is dominated by the hydrogen bonding motif that mimics biological systems and th...Molecular design; Molecular squares1997
133 Miller, Joel Steven; Epstein, Arthur J.Lattice- and spin-dimensionality crossovers in a linear-chain-molecule-based ferrimagnet with weak spin anisotropy[MnOEP][HCBD], a member of the metalloporphyrin family of donor-acceptor molecule-based magnets, consists of isolated ferrimagnetic chains of alternating S=2, [MnOEP], and s=1/2, [HCBD] units (OEP=octaethylporphyrinato and HCBD=hexacyanobutadiene). Analysis of the exchange pathways reveals an exchan...Magnetic; Magnetization; Interchain1997
134 Morse, Michael DavidResonant two-photon ionization spectroscopy of LiCuJet-cooled LiCu has been investigated using resonant two-photon ionization spectroscopy. A long vibrational progression was observed and identified as the [20.5] 1?+? X 1?+ band system. Ten bands of the system were rotationally resolved for 7Li63Cu, giving bond lengths of r0=2.2618(3) ? for the X 1?...1997
135 Miller, Joel Steven; Epstein, Arthur J.Magnetic phase diagram of a molecule-based ferrimagnet: weak ferromagnetism and multiple dimensionality crossoversA detailed study of the magnetic behavior of the molecule-based magnet, [MnOEP][HCBD], (OEP=mesooctaethylporphyrinato, HCBD=hexacyanobutadiene) from 1.7 to 20 K was performed. The earlier reported magnetic transition at 19.6 K, ascribed to a crossover from a one-dimensional Heisenberg-like ferrimag...Transition; Temperature; Magnetization1997
136 Miller, Joel Steven; Epstein, Arthur J.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
137 Morse, Michael DavidOptical spectroscopy of jet-cooled FeC between 12 000 and 18 100 cm-?Iron monocarbide has been investigated between 12 000 and 18 100 cm21 in a supersonic expansion by resonant two-photon ionization spectroscopy. Six new electronic states have been identified for which origins relative to the ground state have been determined. Three of these possess ?"=3, one possess...1997
138 Morse, Michael DavidThe bond energy of Rh?In a spectroscopic investigation of jet-cooled Rh2 by the resonant two-photon ionization method, an abrupt predissociation threshold is observed in a dense set of vibronic levels at 19 405?4 cm-1. Based on the high density of states expected in the rhodium dimer, the sharp definition of the prediss...1997
139 Miller, Joel StevenStructure and physical properties of hexacyanomanganate(IV), [MnIV(CN)6]2-Hydrolytically unstable d3 [MnI V(CN)6]2- as the [N(PPh3)2]+ salt is crystallographically, spectroscopically, and magnetically characterized.Absorption; Magnetic; Spin1997
140 Miller, Joel StevenInterpenetrating three-dimensional rutile-like frameworks. Crystal structure and magnetic properties of MnII[C(CN)3]2The interpenetrating double-density rutile-like structure and magnetic properties of MnII[C(CN)3]2 are determined.Spin; Bond; Coupling1998
141 Miller, Joel Steven; Epstein, Arthur J.Tetracyanoethylene-based organic magnetsSeveral classes of organic magnets based upon the tetracyanoethenide radical anion, [TCNE](.-), either unbound, (u), and (u4) bonded to zero, two and four metal sites have been reported. The putative (u4) bonded V(TCNE)x room temperature magnet has been extended to include M(TCNE)x(M = Mn, Fe, Co,...Magnetization; Magnetic ordering; Oxidation1998
142 Morse, Michael DavidTwo-photon ionization spectroscopy and all-electron ab initio study of LiCaResonant two-photon ionization spectra of LiCa have been obtained from a laser vaporization, supersonic expansion source. The ground state of the molecule is confirmed to be X 2?+. Three band systems have been observed near 15 282, 19 310, and 22 250 cm-1 and the upper states have been assigned as 2...1998
143 Morse, Michael DavidA pair potentials study of matrix-isolated atomic zinc. II. Intersystem crossing in rare-gas clusters and matricesThe mechanism of 4p 1P1?4p 3PJ intersystem crossing (ISC) following excitation of the 4p 1P1 level of matrix-isolated atomic zinc is investigated using a pair potentials approach. This is achieved by extending earlier ISC calculations on the Zn?RG2 and Zn?RG3 complexes to the square planar Zn?RG4 ...1998
144 Miller, Joel Steven; Epstein, Arthur J.; Zhang, JieReentrance in the Mn(tetracyanoethylene)x.y(CH2Cl2) high-Tc molecule-based ferrimagnetResults of static and dynamic magnetic studies of the compound Mn(TCNE)x•y(CH2Cl2) (TCNE =tetracyanoethylene) are reported. Curie-Weiss analysis of the high-temperature susceptibility data indicates a relatively strong exchange. The ac susceptibility, measured as a function of frequency and tempe...Transition; Reentrant; Magnetic1998
145 Armentrout, Peter B.Statistical modeling of competitive threshold collision-induced dissociationCollision-induced dissociation of (R1OH)Li+(R2OH) with xenon is studied using guided ion beam mass spectrometry. R1OH and R2OH include the following molecules: water, methanol, ethanol, 1-propanol, 2-propanol, and 1-butanol. In all cases, the primary products formed correspond to endothermic loss of...Collision-induced dissociation; Xenon ions; Alcohols1998
146 Armentrout, Peter B.Guided ion beam studies of the reactions of Crn+ (n=1-18) with CO2: chromium cluster oxide bond energiesThe kinetic energy dependence of the reactions of Crn+ (n=1-18) with CO2 are studied in a guided ion beam mass spectrometer. The primary product ions are CrnO+, which then decompose by sequential loss of chromium atoms as the kinetic energy is increased. Simple collision-induced dissociation to form...Metal clusters; Chromium ions; Oxygen; Bond energies; Exothermic reactions; Endothermic reactions1998
147 Miller, Joel StevenStructure and magnetic properties of MnII[N(CN)2]2(pyrazine). An antiferromagnet with an interpenetrating 3-D network structureMn[N(CN)2]2(pyz) (pyz = pyrazine) orders antiferromagnetically at low temperature and possesses intralayer u-NCNCN and interlayer u-pyz ligands that form a pseudo-ReO3 interpenetrating network structure.Dicyanamide; Polydentate; Temperature1998
148 Morse, Michael DavidFirst spectroscopic investigation of the 4 d transition metal monocarbide MoCThe first optical spectroscopic investigation of MoC has revealed a complicated vibronic spectrum consisting of about 35 bands between 17 700 and 24 000 cm-1. Analysis has shown the ground state to be the ?=0+ spin?orbit component of a 3?- state that derives from a 10?211?25rr42d 2 configuration. Th...1998
149 Armentrout, Peter B.Guided ion beam studies of the reactions of Crn + (n=2-18) with O2: chromium cluster oxide and dioxide bond energiesThe kinetic energy dependence of the reactions of Crn+ (n=2-18) with O2 are studied in a guided ion beam mass spectrometer. A variety of CrmO2+, CrmO+, and Crm+ product ions, where m≤n, are observed, with the dioxide cluster ions dominating the products for all larger reactant cluster ions. React...Metal clusters; Chromium ions; Oxygen; Oxygen; Bond energies; Exothermic reactions1998
150 Miller, Joel StevenIsolation and structural determination of octacyanobutanediide, [C4(CN)8]2-; precursors to M(TCNE)x magnets(**)The reaction of MI2.xMe3CN (M = Mn, Fe) and TCNE (tetracyanoethylene) leads to unprecedented [C4(CN)8]2-U4-metal complexes which have been crystallographically characterized and are precursors to M(TCNE)x-yS magnets.Absorptions; Magnets; Bond1998
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