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AbstractFor Abstract see ChemInform Abstract in Full Text.
Hirofumi Tohma, Yasuyuki Kita
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Observation of gaseous Li4P: A hypervalent molecule
Chemical Physics Letters, 1991Abstract With Knudsen-effusion mass spectrometry, gaseous Li2P, Li3P, Li4P, LiP2 and Li2P2 species were observed in the equilibrium vapor over Li3P(s) at temperatures above 1100 K. The atomization energies of the Li2P, Li3P and Li4P molecules were determined to be 450±24, 648±26 and 873±35 kJ/mol, respectively.
Hiroshi Kudo, K.F. Zmbov
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Surface Ionization Study of the Hypervalent Li2F Molecule
Rapid Communications in Mass Spectrometry, 1996The surface ionization method offers the possibility of measuring ionization energies of atoms, inorganic and organic molecules and clusters, In this study we report the results of the surface ionization of Li2F molecules on a rhenium surface, This work is an attempt to investigate the applicability of the surface ionization technique for the ...
Veljković, Miomir V. +3 more
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Experimental and theoretical investigation of new hypervalent molecules Li F (n= 2–4)
Abstract Hypervalent molecules of Li 3 F and Li 4 F were detected experimentally for the first time. Ionization energies determined by the thermal ionization mass spectrometry were 3.8 ± 0.2 eV for Li 2 F, 4.0 ± 0.2 eV for Li 3 F and 3.9 ± 0.2 eV for Li 4 F.
Suzana Veličković +7 more
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The Chemistry of Hypervalent Molecules
AbstractMolecules formed from atoms of Groups V–VIII of the periodic table in their higher valences are studied and a general theory for their electronic and geometric structure is presented. These molecules, which we call hypervalent molecules, are unique in that a donor atom can possess two identical monovalent ligands which are bonded by different ...
Jeremy I. Musher
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Effectively hypervalent molecules. 3. Hypermetalation involving sodium: ONa3, ONa4, HONa2, and HONa3
Calculs MO ab initio montrant que les molecules ONa 3 et ONa 4 sont stables avec des liaisons Na-O un peu plus longues que dans Na 2 O et NaOH et que les 9eme et 10eme electrons de ces molecules hypervalentes interviennent dans la liaison metal-metal plutot que dans la liaison metal ...
E.‐U. WUERTHWEIN, Paul V. R. Schleyer
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Abstract The first hypervalent compounds containing both a pentacoordinated silicon atom and a pentacoordinated phosphorus atom were synthesized by the cooperative three-component reaction of a phosphoranide, a silane, and THF accompanying the ring opening of THF, or by the nucleophilic addition of phosphoranylalkoxides to a silane ...
Naokazu Kano +2 more
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Abstract The geometrical structures of CLi5, CLi6 and related species were optimized using the HF, MP2 and DFT methods with the 6-31G* basis set. We have calculated and discussed the stabilities of these perlithiated molecules towards possible dissociation reactions.
Zhizhong Wang +2 more
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Abstract The quantum-mechanical definition of observables is extended to all properties that can be derived from experimentally measurable quantities with the help of universal operators. Even such an extended definition, however, does not cover several commonly used concepts such as atomic orbitais in molecules or Mulliken atomic charges. Principles
Jerzy Ciosłowski, Péter R. Śurján
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Thermodynamic stability and optimized structures of hypervalent molecules M2CN (M = Li, Na, K)
Abstract The hypervalent M2CN (M = Li, Na, K) molecules have been detected in the vapor at elevated temperatures over mixtures of alkali metals and sodium cyanide by means of Knudsen-effusion mass spectrometry. The experimentally obtained ionization energies were IP (Li2CN+) = 5.4 ± 0.2 eV, IP(Na2CN+) = 4.9 ± 0.2 eV and IP (K2CN+) = 4.0 ± 0.2 eV ...
Hiroshi Kudo +4 more
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