H2, D2, and HD scattering from Ag(111)

H2, D2, and HD scattering from Ag(111) by Chien-Fan Yu Download PDF EPUB FB2

The Rayleigh–Brillouin spectrum of light scattered from H2, D2, and HD has been measured at densities ranging from 1/2 to amagat, all at room temperature. The apparatus consisted of Cited by: 4.

The Rayleigh-Brillouin spectrum of light scattered from compressed H2, D2 and HD is presented for densities ranging from about 1 to amagats. We present inelastic scattering results of cooled nozzle beams of He and D2 from Ag () along [].

Time-of-flight measurements performed for vario Author: A. Lehmann, T. Kessler, K.H. Rieder. The striking differences between H2/HD and D2/HD scattering suggest the presence of anisotropically sensitive resonances.

Scattering of molecules at low temperature that are prepared in Cited by: This chapter examines the elastic and rotationally resolved inelastic scattering of H 2, D 2, and HD supersonic molecular beams from Ag(). These examinations are undertaken primarily for two reasons—to determine the laterally averaged isotropic and anisotropic components of the hydrogen/Ag() interaction potential, and to test the accuracy of different levels of quantum gas-surface scattering Cited by: 5.

VolumenumberS CHEMICAL PHYSICS LEiTERS 15April THE RAYLEIGH AND RAMAN POLARIZABILITIES OF HI, HD~ AND D Ching-yi HSU, H.J. LIN and Shou-yih WANG Department of Physics, National Tsing-Hua University, Hsinchu, Taiwan, Republic of China Received 1 December ; in final form 28 January Calculation of Rayleigh and Raman polarizabilities Cited by: 1.

These ideas are illustrated through calculation of collinear H+H2→H2+H and three-dimensional (J = 0)D+H2→HD+D reactive scattering probabilities on the Liu–Siegbahn–Truhlar–Horowitz (LSTH.

The bonding in H2 and D2 is identical as they only differ in the number of neutrons. (a) What is the ratio of the reduced masses for the H2 and D2 The reduced mass is given by: μ = à - à.

à - à. For H2, m1 = m2 = 1 g mol-1 so μ = H 5 > 5 g mol-1 = ½ g mol For D2, m1 = m2 = 2 g mol-1 so μ = H 6 > 6 g mol-1 = 1 g mol Hence, D. = 5 / = 2 and. Butyl-base system, H2-D2 features rust inhibitors and heat stability up to ºF.

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Fast forward scattering oscillations, relating with interference effects in the scattering process, were clearly observed for H2 products at H2(v′=0, j′=1) and H2(v′=0, j′=3) rovibrational.

The second is an indirect mechanism opened by a barrier resonance in which the transition state is able to rotate a fraction of a cycle before breaking apart into products. The dynamics observed here are overall similar D2 that found in related H + D2(v'=0, j'=0,1,2) → HD(v'=1,3, j') reactive scattering studies performed by our group.

A detailed investigation of the spatially anisotropic component of the laterally averaged molecular hydrogen/Ag() physisorption potential is presented. Experimentally derived rotationally inelastic transition probabilities for H2, D2, and HD, taken as a function of collision energy, are compared with those resulting from close-coupled quantum scattering calculations.

Time-independent quantum mechanical (TIQM) approach (helicity basis truncated at k = 2) has been used for computing differential and integral cross sections for the exchange reaction H- + D2 (v = 0, j = 0−4) → HD + D- and D- + H2 (v = 0, j = 0−3) → HD + H- in three dimensions on an accurate ab initio potential energy surface.

It is shown that the j-weighted differential reaction cross Cited by: 9. We present experimental evidence that at relative energies above 10 eV the non-reactive inelastic scattering of O+ by H2, D2, and HD arises from impul Cited by: A six-dimensional potential energy surface (PES) for H2 dissociation on rigid Ag() is developed by fitting ∼ plane-wave density functional theory points using the recently proposed permutation invariant polynomial-neural network (PIP-NN) method, which Cited by: The parame- ter X is considerably larger than recent theoretical estimates [4] and fits to H2 G.

Brusdeyfins et al. / Angular distributions olD2 scattering from LiF and HD scattering from Ag(lll) and Pt() [5] which gave a value between and References [1] G.

Brusdeylins and J.P. Toennies, Surface Sci. () Cited by: 3. Zhang, J. & Miller, W. Quantum reactive scattering via the S-matrix version of the Kohn variational principle: Differential and integral cross sections for D + H2 → HD + H.

Chem Cited by:   A three-dimensional copper metal—organic framework with the rare chabazite (CHA) topology namely FJI-Y11 has been constructed with flexibly carboxylic ligand 5,5′-[(1,4-phenylenebis(methylene))bis(oxy)]diisophthalic acid (H4L).

FJI-Y11 exhibits high water stability with the pH range from 2 to 12 at temperature as high as K. Importantly, FJI-Y11 also shows high Cited by: 1. The University of Chicago, South Ellis Avenue, Chicago, Illinois The elastic and rotationally resolved inelastic scattering of H2, D2, and HD.

2, and also for the product HD. Note that the reaction D 2()vj, +H HDD cannot take place at vanishing energies for v = 0 and j 2, while H 2()0, + D HD+H does take place.

Figure 1. Rovibrational energy levels for v = 0,1 and j 3. 2 J. Phys. B: At. Mol. Opt. Phys. 50 () I Simbotin and R CôtéCited by: 1. calculations on scattering of the hydrogen isotopes H2, D2, and HD from Ag() have allowed us to make a detailed analysis of the full laterally averaged physisorption potential on this closely packed and extremely smooth.

For the isotopic variant of the hydrogen exchange reaction, H + D2 → HD + D, forward scattering features21 observed in the product angular distribution have been attributed21,12 to possible. We present a thorough theoretical study of the title reaction using a wave packet based statistical model, which is ideally suited for reactions dominated by long-lived complexes.

Both state-to-state integral cross sections and thermal rate constants were calculated for the three isotopic (H2, D2, and HD) reactions using a recent ab initio potential energy by: The solid molecular hydrogens are the simplest and most fundamental molecular solids.

Except at ultrahigh pressures on the order of a few mega­ bars, where a transition to a metallic, atomic phase is expected, these solids are true molecular crystals in which the molecules retain their identityBrand: Springer US. This dissertation primarily focuses on two studies which bring forward new insights to this simplest chemical reaction: (i) scattering dynamics of H + D2 HD (v'=1, j') + D reaction at eV, and (ii) probing the dynamics of H + D2 reaction beyond the energy of the conical intersection of H3 surface at a collision energy of eV.

angular momentum anisotropic approximation average axis calculation clusters coefficients components configuration contribution correlation corresponding Debye model defined by eq deuterium dipole discussed distribution effect eigenstates eigenvalues electrons energy levels EQQ interaction equal equation excitations expectation value factor fcc.

Ag^+ + e^- -->Ag. Now, to balance them, you need to have the same number of electrons in both reactions. In this case, you have two for the hydrogen and only one for the silver. So this is what you do: (Ag^+ + e^- -->Ag)2.

Multiply the complete second rxn by 2. Then add both half rxns together to get the final answer of: H2+2Ag^+ --> 2H^+ + 2Ag. The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry.

The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made inBrand: Springer Netherlands. The frequency shifts from gas-phase values of the vibrational and rotational states of H2, D2, and HD mols.

matrix isolated in solid Ar, Kr, and Xe were calcd. at zero temp. and at pressures 0. kbar. Also calcd. were the impurity local mode frequencies vs. pressure. The pure vibrational and rotational-vibrational transitions are strongly red shifted in the solid P = 0, compared to the Author: R.

Etters, B. Silvi, V. Chandrasekharan, M. Chergui. This thesis addresses two important and also challenging issues in the research of chemical reaction dynamics of F+H2 system. One is to probe the reaction resonance and the other is to determine the extent of the breakdown of the Born-Oppenheimer approximation (BOA) experimentally.

The authorBrand: Springer-Verlag Berlin Heidelberg. Reduced Dimensionality Theories of Quantum Reactive Scattering: Applications to Mu + H2, H + H, O(3P) + H2, D2 and HD.- Calculations on Collinear Reactions using Hyperspherical Coordinates.- Reactive Scattering in the Bending-Corrected Rotating Linear Model.- Periodic Orbits and Reactive Scattering:Past, Present and Future In order to demonstrate the principle of state prepared scattering in the mixed molecular beam, we have first used SARP to prepare HD in a variety of different magnetic or orientational sublevels of the (v = 1, j = 2) rovibrational energy eigenstate, where v and j give the vibrational and rotational quantum numbers.

Abstract Gamma yields from the decay of the muonic molecule pdμ produced in muon-catalyzed fusion studies in H 2 +D 2 and HD gaseous targets have been measured.

The experiments have been performed at TRIUMF and the data is presented in this report. Reaction cross sections and rate constants for the D + H2(v = 0−1, j = 0−7) reaction have been obtained by quasi-classical trajectory (QCT) calculations on the three ab initio potential energy surfaces (PESs) available for this system.

A good agreement has been found between the QCT and quantum mechanical (QM) reaction cross sections and rate constants for the D + H2(v = 0−1, j = 0. Recent Quantum Scattering Calculations on the H + H2 Reaction and its Isotopic Counterparts --Reaction Path Models for Polyatomic Reaction Dynamics From Transition State Theory to Path Integrals --Reduced Dimensionality Theories of Quantum Reactive Scattering: Applications to Mu + H2, H + H, O(3P) + H2, D2 and HD --Calculations on Collinear.

We present a detailed computational analysis for the interaction between the vibrating/rotating molecular ions H2 +, HD+, D2 + colliding with He atoms employed as buffer gas within ion trap experiments.

The production and preparation of these molecular ions from their neutrals usually generate rovibrationally excited species which will therefore require internal energy cooling down to Cited by: 2.

The bending corrected rotating linear model is used to study the angular distributions for the reactions F+H2, F+HD, and F+D2. The calculations are performed using two new surfaces (No.

T5 and T5A) Cited by: Books at Amazon. The Books homepage helps you explore Earth's Biggest Bookstore without ever leaving the comfort of your couch.

Here you'll find current best sellers in books, new releases in books, deals in books, Kindle eBooks, Audible audiobooks, and so much g: HD scattering.

A hierarchy of reduced dimensionality exact quantum theories of reactive scattering is presented for the vibrational state-to-state cumulative reaction probability and vibrational state-to-state Reduced Dimensionality Theories of Quantum Reactive Scattering: Applications to Mu+H2, H+H2, O(3P)+H2, D2 and HD | SpringerLinkCited by: Rotational excitation and out-of-plane vibration of Para-H2 and HD adsorbed on graphite Excitations in the commensurate phase of H2, D2 and HD on graphite some inelastic neutron scattering.

This thesis addresses two important and also challenging issues in the research of chemical reaction dynamics of F+H2 system. One is to probe the reaction resonance and the other is to determine the extent of the breakdown of the Born-Oppenheimer approximation (BOA) experimentally.Concepts and Methods of 2D Infrared Spectroscopy - Kindle edition by Hamm, Peter, Zanni, Martin.

Download it once and read it on your Kindle device, PC, phones or tablets. Use features like bookmarks, note taking and highlighting while reading Concepts and Methods of 2D Infrared Spectroscopy/5(5).6 2 P 1/2 ↔ 6 2 P 3/2 mixing and 6 2 S 1/2 ← 6 2 P 1/2, 3/2 quenching in cesium, induced in collisions with ground state N 2, H 2, HD, and D 2 molecules, have been investigated using techniques of sensitized fluorescence.

Mixtures of cesium vapor and the gases, in which the cesium vapor pressure was kept very low to avoid multiple scattering, were irradiated with each component of the Cited by: