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The Journal of Physical Chemistry, ISSN 0022-3654, 12/1993, Volume 97, Issue 51, pp. 13608 - 13614
.... Inversion and N-H bond scission have activation barriers much too high to explain the rapid trans... 
ABINITIO | RELATIVE ENERGIES | WATER DIMER | THERMODYNAMIC PROPERTIES | HYDROGEN-BONDED COMPLEXES | CHEMICAL-REACTION | DIIMIDE | CHEMISTRY, PHYSICAL | DIHYDROGEN TRANSFER-REACTIONS | FREE-ENERGIES | SCF-MO | K EI CHEMISTRY, PHYSICAL
Journal Article
Journal of the Chemical Society, Dalton Transactions, ISSN 1472-7773, 1994, Issue 6, pp. 917 - 924
Treatment of oxochloro complexes of tge type (ReOCl3(L-L)] (L-L = diphosphine) with sodium tetrahydroborate gave complexes of the type [ReH7(L-L)]. Treatment... 
ETA-2-DIHYDROGEN COMPLEXES | IRIDIUM | MOLECULAR-HYDROGEN COMPLEXES | REH7(PPH3)2 | OSMIUM | TRANSITION-METALS | DIHYDROGEN COMPLEXES | RAY CRYSTAL-STRUCTURE | POLYHYDRIDE COMPLEXES | HYDRIDE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
ORGANOMETALLICS, ISSN 0276-7333, 04/1994, Volume 13, Issue 4, pp. 1129 - 1146
The tetrahydride-bridged complex (C5Me5)Ru(A-H)4Ru(C5Me5) (2) is synthesized by the reaction of [(C5Me5)RuCl2]2 (1) with LiAlH4, which is characterized as a... 
TRANSITION-METAL POLYHYDRIDES | ORGANIC-CHEMISTRY | MOLECULAR-HYDROGEN COMPLEXES | X-RAY | THERMODYNAMIC CONSIDERATIONS | NEUTRON-DIFFRACTION | CHEMISTRY, ORGANIC | ALKANE DEHYDROGENATION | OXIDATIVE ADDITION | DIHYDROGEN COMPLEXES | RAY CRYSTAL-STRUCTURE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 04/1994, Volume 116, Issue 8, pp. 3375 - 3388
...(2)L(2) With HBF4. The H-H bond length of the spinning H-2 ligand does not change significantly as a function of R... 
M = FE | CATALYSIS | HYDROGEN | ETA-2-DIHYDROGEN COMPLEXES | MOLYBDENUM | DINITROGEN | CHEMISTRY | RUTHENIUM | TUNGSTEN | COORDINATED DIHYDROGEN | PROTONATION | Ligands | Metals | Research
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/1994, Volume 116, Issue 10, pp. 4352 - 4356
The structure of [Os(eta(2)-H-2)en(2)CH(3)CO(2)]PF6 (1) has been studied by X-ray diffraction at 120 K and neutron diffraction at 165 K. Compound 1 belongs to... 
DIHYDRIDE | MOLECULAR-HYDROGEN COMPLEXES | EQUILIBRIUM | COORDINATION | H-H BOND | H-2 | TRANSITION-METALS | DIHYDROGEN COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | Neutrons | Complex compounds | Diffraction | Research | Analysis | Osmium
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/1994, Volume 116, Issue 10, pp. 4370 - 4381
... [(triphos)Ir(eta(3)-C,C,S-C8H6S)]Y (Y = BPh(4), 2a; PF6, 2b) in which intact BT is coordinated to the metal center through the S atom and the C-2=C-3 bond... 
H BOND ACTIVATION | THIOPHENE COORDINATION | DEUTERIUM-EXCHANGE | CHEMISTRY | RUTHENIUM | REACTION-MECHANISMS | DIHYDROGEN COMPLEXES | METAL-COMPLEXES | RAY CRYSTAL-STRUCTURE | HYDRODESULFURIZATION CATALYSTS | HYDRIDE
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/1994, Volume 33, Issue 17, pp. 3735 - 3744
Journal Article
Macromolecular Theory and Simulations, ISSN 1022-1344, 09/1994, Volume 3, Issue 5, pp. 895 - 904
The ethylene polymerization enthalpy, calculated through quantum‐mechanical ab‐initio methods on model systems of homogeneous Ziegler‐Natta cationic catalysts,... 
INSERTION | POLYMER SCIENCE | ETHYLENE | DIHYDROGEN | OLEFIN POLYMERIZATION | BIS(ETA-5-CYCLOPENTADIENYL)METHYLZIRCONIUM(1+) | PROPYLENE | BOND | GAS-PHASE REACTIONS | ABINITIO MO
Journal Article
Journal of Organometallic Chemistry, ISSN 0022-328X, 1994, Volume 478, Issue 1, pp. 197 - 203
Ab initio calculations with effective core potentials have been used to study the hydrogen exchange processes of the [CpRh(C 2H 4)(η 2-C 2H 5)] + β-agostic... 
Hydrides | Ab initio calculations | Rhodium | Agostic interactions | RHODIUM | MOLECULAR CALCULATIONS | AGOSTIC INTERACTIONS | HYDRIDES | AB-INITIO CALCULATIONS | CHEMISTRY, ORGANIC | ELIMINATION | SUBSTITUTION-REACTIONS | OXIDATIVE ADDITION | ABINITIO MO | CHEMISTRY, INORGANIC & NUCLEAR | DIHYDROGEN | R' = H | DYNAMICS | ATOMS | BASIS-SETS
Journal Article
Organometallics, ISSN 0276-7333, 10/1994, Volume 13, Issue 10, pp. 3816 - 3822
..., (-70-degress-C, 250 MHz), which suggests a classical hydride-type bonding. A dynamic motion of the metalated CH bond and/or exchange of the ''agostic'' hydrogen atom... 
TRANSITION-METAL COMPLEXES | HYDRIDO COMPLEXES | MOLECULAR-HYDROGEN COMPLEXES | BONDS | NEUTRON-DIFFRACTION | CHEMISTRY, ORGANIC | NONCLASSICAL STRUCTURES | AGOSTIC INTERACTION | C-H ACTIVATION | DIHYDROGEN COMPLEXES | STEREOSELECTIVE FORMATION | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 1994, Volume 135, pp. 845 - 879
The factors governing the stabilities of classical and non-classical isomers in transition metal polyhydride complexes are summarized in this review. Diagonal... 
ETA-2-DIHYDROGEN COMPLEXES | ORGANOMETALLIC REACTION-MECHANISMS | MOLECULAR-HYDROGEN COMPLEXES | X-RAY | TEMPERATURE NEUTRON-DIFFRACTION | H-H BOND | OXIDATIVE ADDITION | DIHYDROGEN COMPLEXES | RAY CRYSTAL-STRUCTURE | C-H | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 11/1994, Volume 116, Issue 24, pp. 11014 - 11019
A series of metal hydride complexes is described (1, 6, and 7) containing X-H...H-Ir (X = O or N) hydrogen bonds. The H...H distance is short... 
M = FE | H-H | IRIDIUM | LIGANDS | HYDRIDES | NEUTRON-DIFFRACTION | CHEMISTRY | POLYHYDRIDES | ATOMS | EXCHANGE | DIHYDROGEN COMPLEXES
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/1994, Volume 116, Issue 24, pp. 10883 - 10894
.... The central double bond in these adducts was then regiospecifically reduced with diimide, epoxidized with MCPBA, or cyclopropanated by [3 + 2... 
ORGANIC-REACTIVITY | DIHYDROGEN-EXCHANGE | ALDER CYCLO-ADDITIONS | PERISTYLANE PERIMETER | STEREOSELECTIVITY | ELECTRONIC CONTROL | CHEMISTRY | REARRANGEMENTS | BRIDGED-RING SYSTEMS | PROXIMITY | HYDROGEN MIGRATION
Journal Article
ORGANOMETALLICS, ISSN 0276-7333, 12/1994, Volume 13, Issue 12, pp. 4887 - 4894
The oxidative behaviors of the dihydride, hydridomethyl, and dimethyl complexes Cp*Ir-(PPh(3))H-2 (1), Cp*Ir(PPh(3))(H)(CH3)(2), and Cp*Ir(PPh(3))(CH3)(2)(3)... 
BOND-CLEAVAGE REACTIONS | DIHYDROGEN COMPLEX | CHEMISTRY, ORGANIC | GENERATION | METAL-HYDRIDES | CYCLIC VOLTAMMETRY | PROTON-TRANSFER | REDUCTIVE ELIMINATION | CATION | ELECTRON-TRANSFER PROCESSES | ELECTROCHEMICAL OXIDATION | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
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