References of "Chemical Physics Letters"
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See detailThe cage fragmentation of doubly ionized norbornane: A Born-Oppenheimer molecular dynamics study
Knippenberg, Stefan ULg

in Chemical Physics Letters (2013), 584

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See detailQuantum dynamics around a non planar conical intersection in vinoxy radical relaxation
Piechowska-Strumik, K.; Lauvergnat, David; Bacchus-Montabonel, Marie-Christine et al

in Chemical Physics Letters (2006), 425

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See detailNon-adiabatic effects in photodissociation of bromoacetyl chloride
Bacchus-Montabonel, Marie-Christine; Vaeck, Nathalie; Lasorne, Benjamin et al

in Chemical Physics Letters (2003), 374

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See detailStudy of the water/poly(ethylene glycol) interface by IR-visible sum-frequency generation spectroscopy
Dreesen, Laurent ULg; Humbert, C.; Hollander, P. et al

in Chemical Physics Letters (2001), 333

We used infrared-visible sum-frequency generation spectroscopy to investigate the vibrational properties of the water/poly(ethylene glycol) interface in the 2800-3800 cm-1 spectral range. The vibrational ... [more ▼]

We used infrared-visible sum-frequency generation spectroscopy to investigate the vibrational properties of the water/poly(ethylene glycol) interface in the 2800-3800 cm-1 spectral range. The vibrational fingerprint of the interface differs significantly from the one associated with the aire/poly(ethylene glycol) interface. It is shown that the poly(ethylene glycol) molecular arrangement, originally relatively well-ordered, becomes disorganised in the presence of water. Moreover, a new OH band is identified demonstrating the strong interaction of water with the polymer. [less ▲]

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See detailA combined theoretical and experimental study of the electrochemically induced chemisorption of acrylonitrile on nickel, copper, and zinc
Fredriksson, C.; Lazzaroni, Roberto; Brédas, Jean-Luc et al

in Chemical Physics Letters (1996), 258(3-4), 356-362

We report a combined theoretical and experimental study of the interaction between a series of transition metals (Ni, Cu, Zn) and acrylonitrile. We demonstrate experimentally that the transition metal has ... [more ▼]

We report a combined theoretical and experimental study of the interaction between a series of transition metals (Ni, Cu, Zn) and acrylonitrile. We demonstrate experimentally that the transition metal has a selective role in the grafting of electropolymerized acrylonitrile. Nickel and copper substrates support the formation of a polyacrylonitrile film, while zinc does not. Quantum chemical calculations indicate that acrylonitrile molecules form π-d bonds with Ni and Cu atoms, but do not react chemically with a Zn atom, in qualitative agreement with the experiment. Computational results also show that the electron affinity is significantly increased upon chemisorption, promoting radical anion species at the metal surface as initiators for polymerization. [less ▲]

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See detailThe appearance energy of C2H+ from C2H2 revisited. A Photoion-Photoelectron Coincidence Spectroscopic Determination.
Servais, Christian ULg; Locht, Robert ULg

in Chemical Physics Letters (1995), 236

The dissociative ionization of C2H2 in the C2H+-producing channel has been reconsidered. The photoion-photoelectron coincidence (PIPECO) technique has been used. The C2H+/e coincidence rate has been ... [more ▼]

The dissociative ionization of C2H2 in the C2H+-producing channel has been reconsidered. The photoion-photoelectron coincidence (PIPECO) technique has been used. The C2H+/e coincidence rate has been recorded between 16.2 and 21.2 eV. The lowest appearance energy determined for C2H+ is 17.35+/-0.04 eV. A second appearance energy is measured at 18.40+/-0.04 eV. At both energies ethynyl ions are produced through a predissociation mechanism at the expense of the C2H2+(A2Ag) state at 17.35 eV and C2H2+(B2Sigma+/g) at 18.40 eV. These results are in good agreement with the most recent TPIPECO experiments and dissociative electroionization results. This comparison leads to the exclusion of any contribution of autoionization phenomena to the C2H+ ion production between 16.2 and 21.2 eV. Investigations of C2H+ through the ion-pair formation channel (and dissociative electron attachment producing C2H- and H-) in C2H2 are reported and its contribution to C2H+ ion production below 17.3 eV must be discarded. [less ▲]

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See detailThe Appearance of C2H3+ Ions from C2H3F by non-resonant Photoionization. A Translational Energy Surprisal Analysis.
Momigny, J.; Locht, Robert ULg

in Chemical Physics Letters (1993), 211(2,3), 161-165

It is shown that for a photon energy of 16.85 eV the translational energy surprisal of the C2H3++F dissociation products from C2H3F+ has a bimodal behaviour. The possibility of considering the bimodal ... [more ▼]

It is shown that for a photon energy of 16.85 eV the translational energy surprisal of the C2H3++F dissociation products from C2H3F+ has a bimodal behaviour. The possibility of considering the bimodal surprisal as due to the superposition of two translational energy distributions is consistent with the theoretical assumption of the concurrence of two channels in this dissociation process. The characteristics of these distributions, i.e. the energy width and the relative abundance, are in agreement with the results of an ab initio quantum-mechanical calculation of the dynamics of this dissociation. They are consistent with the simultaneous occurrence of a statistical dissociation of C2H3F+(X2A') into C2H3+(X1A') and an isolated state dissociation of C2H3F+(C2A") into C2H3+(a3A"). Negative lambda values obtained for the surprisal of both these distributions indicate an inversion of the translational level population of the dissociation products. [less ▲]

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See detailThe Threshold Photoelectron Spectrum of NH3.
Locht, Robert ULg; Hottmann, K.; Hagenow, G. et al

in Chemical Physics Letters (1992), 190(1,2), 124-129

Using synchrotron radiation, we have investigated the threshold photoelectron spectrum of NH3 between 10-30 eV photon energy. In contrast to the He(I)-photoelectron spectrum, the threshold photoelectron ... [more ▼]

Using synchrotron radiation, we have investigated the threshold photoelectron spectrum of NH3 between 10-30 eV photon energy. In contrast to the He(I)-photoelectron spectrum, the threshold photoelectron spectrum shows three bands between 10 and 21 eV. The first band is dominated by the vibrational autoionization of the 5a1, the 6a1 and the 6pe Rydberg series. Between the first and second bands a new contribution, starting at 13.26 eV, is assigned to the autoionization of (a) member(s) of Rydberg series converging to the e-1 ionization continuum. Its (their) autoionization populates the upper vibrational levels of the NH3+ (X2A1) state. From about 14.5 eV the A2E band structures are identified. However, differences between the A2E band shapes in the He(I)- and the threshold photoelectron spectra suggest that very likely autoionization contributions are involved in the latter spectrum. These phenomena could play a role in the production of the NH2+ and NH+ fragment ions. The last very weak band, at about 25 eV in the photoelectron spectrum is assigned to the NH3+(B2A1) state. [less ▲]

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See detailEnergy hypersurface local properties of the O2HF-1 rearrangement
Dive, Georges ULg; Dehareng, Dominique ULg; Culot, Patrick et al

in Chemical Physics Letters (1992), 195(2-3), 189-193

This work analyses a case where Murrell's proposal, stating that a second-order point must lie above a first-order one, is apparently violated. Study at the SCF-UMP2 level within the D95 + + basis set, of ... [more ▼]

This work analyses a case where Murrell's proposal, stating that a second-order point must lie above a first-order one, is apparently violated. Study at the SCF-UMP2 level within the D95 + + basis set, of one critical point of the O2HF- anion, previously proposed to be of order two by Lopez, shows the importance of the electronic correlation. The critical point associated with the (2)PI first-order ones. The present analysis reveals that this contradistinction can be explained by three unconsidered elements: the local symmetry, the electronic correlation and the internal variables description. [less ▲]

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See detailFlash photolysis of Eosin in aqueous micellar dispersions
Seret, Alain ULg; Gandin, Ezio; Van de Vorst, Albert

in Chemical Physics Letters (1987), 135(4,5), 427-431

The flash photolysis technique was employed to study the properties of eosin triplet state in aqueous micellar solutions. Increasing the concentration of cetyltrimethylammonium bromide from 10−6 M to the ... [more ▼]

The flash photolysis technique was employed to study the properties of eosin triplet state in aqueous micellar solutions. Increasing the concentration of cetyltrimethylammonium bromide from 10−6 M to the CMC leads to a dramatic decrease of triplet absorbance and to the appearance of a very fast decay process of triplet state resulting from the formation of dye-rich induced micelles. From the CMC to 10−2 M, the absorbance and the lifetime of triplet state increase progressively. [less ▲]

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See detailThe double Ionization of Ammonia. Its Dissociation into the Doubly Ionized Fragment N2+.
Locht, Robert ULg; Momigny, J.

in Chemical Physics Letters (1987), 138(5), 391-396

The double ionization and dissociation of NH3 into the doubly ionized fragment N2+ is investigated by electron impact. Two double ionization energies of NH3 are directly measured at 34.8+/-0.2 eV and 39.4 ... [more ▼]

The double ionization and dissociation of NH3 into the doubly ionized fragment N2+ is investigated by electron impact. Two double ionization energies of NH3 are directly measured at 34.8+/-0.2 eV and 39.4+/-0.5 eV. A third critical energy observed at 66 eV is assigned to a (NH3)2+ state whose ionization energy is at 61 eV. Two appearance energies are observed for the N2+ ion at 65.9+/-1.7 eV and 74.3+/-2.6 eV. The translational energy distribution of N2+ is shown to be essentially thermal. The former onset is ascribed to the dissociation of the 61 eV state of (NH3)2+, the latter originates from the doubly ionized (NH3)2+ state at 70 eV. [less ▲]

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See detailThe Dissociative Ionization of Nitrous Oxide. A comparison between Electroionization and HeI and NeI Photoionization.
Locht, Robert ULg; Caprace, G.; Momigny, J.

in Chemical Physics Letters (1984), 111

The photoelectron spectrum of N2O and the kinetic energy distributions of NO+, N2+, O+ and N+ have been recorded with HeI and NeI resonance lines. At 21.22 eV the distributions are similar to those ... [more ▼]

The photoelectron spectrum of N2O and the kinetic energy distributions of NO+, N2+, O+ and N+ have been recorded with HeI and NeI resonance lines. At 21.22 eV the distributions are similar to those observed by electroionization at comparable energy. The NeI resonance line produces O+ and NO+ ions. Their respective kinetic energy distributions are related to the change induced in the N2O+(A2Sigma+) photoelectron band excited by the NeI resonance line. [less ▲]

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See detailAdiabatic-to-diabatic electronic state transformation and curvilinear nuclear coordinates for molecular systems
Chapuisat, Xavier; Nauts, André; Dehareng, Dominique ULg

in Chemical Physics Letters (1983), 95(2), 139-143

Following an original idea of Baer, since then several times applied to various small molecular collisional systems, it is shown that — whatever the choice of curvilinear generalized coordinates to ... [more ▼]

Following an original idea of Baer, since then several times applied to various small molecular collisional systems, it is shown that — whatever the choice of curvilinear generalized coordinates to describe the molecular gometry and overall rotation — the algebraic framework proposed by Baer remains valid provided only that the exact tensorial expression of the kinetic energy operator is used. [less ▲]

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See detailDissociative Ionization by low energy Electron Impact. Energy Distribution and Appearance Energy of Doubly Ionized Fragments from N2 and O2.
Locht, Robert ULg; Momigny, J.

in Chemical Physics Letters (1979), 66(3), 574-577

Ion energy distributions and threshold energies are measured for the appearance of N2+ from N2. To our knowledge the same data are measured for the first time on O2+ from O2. For both ions a thermal peak ... [more ▼]

Ion energy distributions and threshold energies are measured for the appearance of N2+ from N2. To our knowledge the same data are measured for the first time on O2+ from O2. For both ions a thermal peak is observed in the ion energy distribution having an onset at (61.1+/-0.5) eV and (60.5+/-0.8) eV for the N2+ ion and the O2+ ion respectively. The appearance energy of higher energetic ions is measured and interpreted. [less ▲]

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See detailDissociative Ionization of Carbon Disulphide in the Gas Phase. Heat of Formation of the CS Radical.
Hubin-Franskin, Marie-Jeanne ULg; Locht, Robert ULg; Katihabwa, J.

in Chemical Physics Letters (1976), 37(3), 488-493

Measurements of the appearance potentials and the kinetic energies of S+ and CS+ ions formed by electron impact on carbon disulphide in the gas phase lead us to propose a value as low as 34+/-6 kcal/mole ... [more ▼]

Measurements of the appearance potentials and the kinetic energies of S+ and CS+ ions formed by electron impact on carbon disulphide in the gas phase lead us to propose a value as low as 34+/-6 kcal/mole for the heat of formation of the CS radical in its ground electronic state. It is also shown that the predissociation of the A2Piu or X2Pig and the B2Sigmau/+ molecular ion states by a repulsive 4Sigma- state giving rise to S+ ions, observed through metastastable ions study, occur at 13.45 eV and 14.55 eV respectively. [less ▲]

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See detailA new test of Translational Spectroscopy: the Rotational Predissociation of the X1Sigma state of HeH+.
Fournier, P. G.; Comtet, G.; Odom, R. W. et al

in Chemical Physics Letters (1976), 40(1), 170-173

We reported the experiment on the accurate measurement of the kinetic energy released during the predissociation of HeH+ ions into the fragments H+ and He. This experiment was carried out on two machines ... [more ▼]

We reported the experiment on the accurate measurement of the kinetic energy released during the predissociation of HeH+ ions into the fragments H+ and He. This experiment was carried out on two machines specially designed for this purpose. The new results differ from those of the original experiment and agree now very well with the theoretical predictions. [less ▲]

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See detailThe observation of Predissociations in the Oxygen Molecular Ion by low-energy electron impact.
Locht, Robert ULg; Schopman, Joop

in Chemical Physics Letters (1974), 26(4), 596-600

The kinetic energy distribution of the O+ ions formed by dissociative ionization of O2 has been carefully examined in the range of 0.0 to 1.3 eV. In the peak at 600 meV fine structure is observed and ... [more ▼]

The kinetic energy distribution of the O+ ions formed by dissociative ionization of O2 has been carefully examined in the range of 0.0 to 1.3 eV. In the peak at 600 meV fine structure is observed and interpreted by predissociation. The high energy side of the peak has been ascribed to the predissociation of the 2Deltag, B2Sigma-/g and the C4Sigma-/u states of O2+. The low energy side of the peak is presumably due to the predissociation of the b4Sigma-/g or the 2Phiu state of O2+ or to autoionizing predissociation. [less ▲]

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See detailMass Spectrometric determination of the Electronaffinities of Radicals.
Locht, Robert ULg; Momigny, Jacques

in Chemical Physics Letters (1970), 6(4), 273-276

By mass spectrometric study of the appearance of C2-, CH- and C2H- from CH4, C2H2, C2H4, C2H3X (X=F, Cl) the following electronaffinities have been determined: EA(CH)=(2.6+/-0.3) eV, EA(C2)=(3.3+/-0.2) eV ... [more ▼]

By mass spectrometric study of the appearance of C2-, CH- and C2H- from CH4, C2H2, C2H4, C2H3X (X=F, Cl) the following electronaffinities have been determined: EA(CH)=(2.6+/-0.3) eV, EA(C2)=(3.3+/-0.2) eV and EA(C2H)=(2.1+/-0.3) eV. Some evidence is brought to the existence of electronic excited states of these ions. An evaluation of these negative ions dissociation energy in their ground electronic state is given and is found to be of the order of magnitude of the corresponding isoelectronic molecular species dissociation energy. [less ▲]

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