Vibrational linewidths of adsorbed molecules: Experimental considerations and results

Tobin, R. G.

doi:10.1016/s0039-6028(87)80347-3

Cited by 86 publications

(12 citation statements)

References 64 publications

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“…Meanwhile, the spectral line becomes more symmetric. The broadening and asymmetric line shape of the ν as (CO 2 ) band in TIFSIX‐3‐Ni suggests strong vibrational dynamic coupling between adsorbed CO 2 molecules and the pyz‐linked ultramicropores under high loading [30] . Our previous reports on MFSIX‐3‐Ni have identified binding sites via molecular modelling [26] and PXRD derived structural solution [23] .…”

Section: Resultsmentioning

confidence: 87%

Amino‐Functionalised Hybrid Ultramicroporous Materials that Enable Single‐Step Ethylene Purification from a Ternary Mixture

et al. 2021

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Pyrazine‐linked hybrid ultramicroporous (pore size <7 Å) materials (HUMs) offer benchmark performance for trace carbon capture thanks to strong selectivity for CO2 over small gas molecules, including light hydrocarbons. That the prototypal pyrazine‐linked HUMs are amenable to crystal engineering has enabled second generation HUMs to supersede the performance of the parent HUM, SIFSIX‐3‐Zn, mainly through substitution of the metal and/or the inorganic pillar. Herein, we report that two isostructural aminopyrazine‐linked HUMs, MFSIX‐17‐Ni (17=aminopyrazine; M=Si, Ti), which we had anticipated would offer even stronger affinity for CO2 than their pyrazine analogs, unexpectedly exhibit reduced CO2 affinity but enhanced C2H2 affinity. MFSIX‐17‐Ni are consequently the first physisorbents that enable single‐step production of polymer‐grade ethylene (>99.95 % for SIFSIX‐17‐Ni) from a ternary equimolar mixture of ethylene, acetylene and CO2 thanks to coadsorption of the latter two gases. We attribute this performance to the very different binding sites in MFSIX‐17‐Ni versus SIFSIX‐3‐Zn.

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Section: Resultsmentioning

confidence: 87%

Amino‐Functionalised Hybrid Ultramicroporous Materials that Enable Single‐Step Ethylene Purification from a Ternary Mixture

et al. 2021

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“…In many situations, it is now possible to measure the detailed lineshapes associated with the vibrations of adsorbate atoms on surfaces, and several reviews have appeared on the subject. [1][2][3] Here we give a description of some of the theoretical developments in understanding what lineshapes are to be expected due to the various broadening mechanisms, and what the various types of experiment can tell us about fundamentals of the adsorbate-substrate systems. We emphasize however that this is not a review, in the sense that it does not refer to all the important papers in the field, and certainly makes no attempt to say who did what first.…”

Section: Introductionmentioning

confidence: 99%

Vibrational Relaxation and Dephasing of Molecules Adsorbed on Metal Surfaces

Langreth

Persson

1995

Laser Spectroscopy and Photochemistry on Metal Surfaces

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“…36 For molecular adsorbates, most of the theoretical analyses of the vibron dynamics were applied to the interpretation of the infrared spectra with special emphasis on the processes responsible for line broadening. [37][38][39][40][41][42][43][44][45][46][47][48] The description of the vibron dynamics of a monolayer appears in principle to be similar to the Davydov's problem since the vibrons interact strongly with their surrounding. However, a crucial difference occurs due to the complexity of the bath which contains the librons and the phonons of the monolayer, the phonons of the substrate and, for a metallic surface, the electronic degrees of freedom of the metal.…”

Section: Thismentioning

confidence: 99%

Quantum transport theory of vibrons in a molecular monolayer

Pouthier

Light

Giŗardet

2001

The Journal of Chemical Physics

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We establish a quantum kinetic equation describing the transport properties of the vibrons in a molecular monolayer adsorbed on a dielectric substrate. A renormalization procedure is applied to the Hamiltonian of the system which is then separated in a vibron Hamiltonian, a bath Hamiltonian connected the external motions and a coupling Hamiltonian between the vibrons and the external modes. A perturbative analysis based on the projector method allows us to eliminate the irrelevant information related to the bath dynamics. The use of conventional approximations (Markov limit and Wick theorem) leads us to write the kinetic equation in a form exhibiting linear and nonlinear contributions. The linear term characterizes irreversible processes connected to the bath fluctuations whereas the nonlinear term represents a self-modulation of the dynamical matrix with respect to the vibron distribution. An application of the transport of CO vibrons on NaCl(100) illustrates the method.

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Vibrational linewidths of adsorbed molecules: Experimental considerations and results

Cited by 86 publications

References 64 publications

Amino‐Functionalised Hybrid Ultramicroporous Materials that Enable Single‐Step Ethylene Purification from a Ternary Mixture

Amino‐Functionalised Hybrid Ultramicroporous Materials that Enable Single‐Step Ethylene Purification from a Ternary Mixture

Vibrational Relaxation and Dephasing of Molecules Adsorbed on Metal Surfaces

Quantum transport theory of vibrons in a molecular monolayer

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