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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 66, 1989 - Issue 2
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Original Articles

Experimental and theoretical determination of vibrational frequency shifts of diatomic molecules adsorbed in NaA zeolite

Interaction potential and its derivatives with respect to the internal coordinate of H2, D2, N2, O2

Evelyne R. Cohen de Lara Spectroscopie Moléculaire en Milieu Condensé, Laboratoire de Recherches Physiques, associé au C.N.R.S., Université Pierre et Marie Curie, 4 Place Jussieu, Tour 22, 75252, Paris Cedex 05, France
Pages 479-492 | Received 21 Apr 1988, Accepted 01 Oct 1988, Published online: 26 Oct 2007

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JOSEP MARTI, JOSEPM. LUIS & MIQUEL DURAN. (2000) Theoretical study of the second-order vibrational Stark effect. Molecular Physics 98:8, pages 513-520.
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ALEXANDERV. LARIN & EVELYNE COHEN DE LARA. (1996) Estimate of ionicity of zeolite NaA using the frequency shift values of physisorbed molecular hydrogen. Molecular Physics 88:5, pages 1399-1410.
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C. Girardet, P.N. M. Hoang & J. Breton. (1996) Model for Molecular Interactions in Helicoidal Cavities. Molecular Simulation 17:4-6, pages 289-301.
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DavidM. Bishop. (1994) Effect of the surroundings on atomic and molecular properties. International Reviews in Physical Chemistry 13:1, pages 21-39.
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AlexanderV. Larin & VictorS. Parbuzin. (1992) Theoretical estimate of ortho-para separation coefficients for H2 and D2 on A-type zeolites for small and medium coverage. Molecular Physics 77:5, pages 869-891.
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A.M. Goulay, F. Clairet & E. Cohen de Lara. (1991) Effect of electric field on internal vibration frequencies.. Molecular Physics 73:4, pages 845-853.
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Tatsuya Yamazaki, Isao Watanuki, Sentaro Ozawa & Yoshisada Ogino. (1991) Potential energies and IR spectra for homopolar diatomic adsorbates over ion-exchanged ZSM-5 zeolites. Molecular Physics 73:3, pages 649-661.
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Tatsuya Yamazaki, Sentaro Ozawa & Yoshisada Ogino. (1990) Potential energies for methane adsorption in ion-exchanged ZSM-5 zeolite pore. Molecular Physics 69:2, pages 369-378.
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Articles from other publishers (32)

Sarah Komaty, Clément Anfray, Moussa Zaarour, Hussein Awala, Valérie Ruaux, Samuel Valable & Svetlana Mintova. (2018) A Facile Route toward the Increase of Oxygen Content in Nanosized Zeolite by Insertion of Cerium and Fluorinated Compounds. Molecules 23:2, pages 37.
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Masahiro Katoh & Tahei Tomida. 2015. Encyclopedia of Surface and Colloid Science, Third Edition. Encyclopedia of Surface and Colloid Science, Third Edition 7726 7735 .
Timothy A. Strobel, E. Dendy Sloan & Carolyn A. Koh. (2009) Raman spectroscopic studies of hydrogen clathrate hydrates. The Journal of Chemical Physics 130:1.
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Shampa Santra, Tanja Archipov, Augusta B. Ene, Helena Komnik, Hermann Stoll, Emil Roduner & Guntram Rauhut. (2009) Adsorption of dioxygen to copper in CuHY zeolite. Physical Chemistry Chemical Physics 11:39, pages 8855.
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K. M. Bulanin, V. P. Bulychev & M. N. Ryazantsev. (2008) Theoretical study of structural and energy parameters of the van der Waals complex of the Li+ cation with the N2 molecule. Optics and Spectroscopy 105:6, pages 829-837.
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Evgueni N. Gribov, Donato Cocina, Giuseppe Spoto, Silvia Bordiga, Gabriele Ricchiardi & Adriano Zecchina. (2006) Vibrational and thermodynamic properties of Ar, N2, O2, H2 and CO adsorbed and condensed into (H,Na)-Y zeolite cages as studied by variable temperature IR spectroscopy. Physical Chemistry Chemical Physics 8:10, pages 1186.
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V. P. Bulychev, K. M. Bulanin & M. O. Bulanin. (2014) Theoretical study of the spectral and structural parameters of van der Waals complexes of the Li+ cation with the H2, D2, and T2 isotopomers of the hydrogen molecule. Optics and Spectroscopy 96:2, pages 205-216.
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Stacey E. Siporin, Brian C. McClaine & Robert J. Davis. (2003) Adsorption of N 2 and CO 2 on Zeolite X Exchanged with Potassium, Barium, or Lanthanum . Langmuir 19:11, pages 4707-4713.
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Bodo Zibrowius & Elke Löffler. 2002. Handbook of Porous Solids. Handbook of Porous Solids 935 1015 .
Jennifer A. MacKinnon, Juergen Eckert, David F. Coker & Amy L. R. Bug. (2001) Computational study of molecular hydrogen in zeolite Na–A. II. Density of rotational states and inelastic neutron scattering spectra. The Journal of Chemical Physics 114:22, pages 10137-10150.
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C. Manca & A. Allouche. (2001) Quantum study of the adsorption of small molecules on ice: The infrared frequency of the surface hydroxyl group and the vibrational stark effect. The Journal of Chemical Physics 114:9, pages 4226-4234.
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Zhan Chen, Yung-Ya Lin & Herbert L. Strauss. (2000) Raman Spectra of D 2 in Water and Ice . The Journal of Physical Chemistry B 104:14, pages 3274-3279.
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Kirill M. Bulanin, Raul F. Lobo & Michael O. Bulanin. (2000) Low-Temperature Adsorption of N 2 , O 2 , and D 2 on LiX, NaX, and NaLiX Zeolites Studied by FT-IR Spectroscopy . The Journal of Physical Chemistry B 104:6, pages 1269-1276.
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Cherry-Rose Anderson, David F. Coker, Juergen Eckert & Amy L. R. Bug. (1999) Computational study of molecular hydrogen in zeolite Na-A. I. Potential energy surfaces and thermodynamic separation factors for ortho and para hydrogen . The Journal of Chemical Physics 111:16, pages 7599-7613.
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Françoise Stéphanie-Victoire & Evelyne Cohen de Lara. (1998) Adsorption and coadsorption of molecular hydrogen isotopes in zeolites. II. Infrared analyses of H2, HD, and D2 in NaA. The Journal of Chemical Physics 109:15, pages 6469-6475.
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S. Briquez, S. Picaud, C. Girardet, P. N. M. Hoang, J. Heidberg & A. Voßberg. (1998) Adsorption of ortho and para H2 on NaCl(001). The Journal of Chemical Physics 109:15, pages 6435-6449.
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G. L. Marra, A. N. Fitch, A. Zecchina, G. Ricchiardi, M. Salvalaggio, S. Bordiga & C. Lamberti. (1997) Cation Location in Dehydrated Na−Rb−Y Zeolite:  An XRD and IR Study. The Journal of Physical Chemistry B 101:50, pages 10653-10660.
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Pierfranco Demontis & Giuseppe B. Suffritti. (1997) Structure and Dynamics of Zeolites Investigated by Molecular Dynamics. Chemical Reviews 97:8, pages 2845-2878.
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A.V. Larin, F. Jousse, L. Leherte & D.P. Vercauteren. (1997) Theoretical estimation of the vibrational perturbation of the molecular properties of hydrogen adsorbed within a zeolite A framework. Chemical Physics Letters 274:4, pages 345-353.
Crossref
Fabien Jousse, Alexander V. Larin & Evelyne Cohen De Lara. (1996) Induced Infrared Absorption of Molecular Oxygen Sorbed in Exchanged A Zeolites. 2. Frequency Shift Calculation. The Journal of Physical Chemistry 100:1, pages 238-244.
Crossref
Fabien Jousse & Evelyne Cohen De Lara. (1996) Induced Infrared Absorption of Molecular Oxygen Sorbed in Exchanged A Zeolites. 1. Intensity Analysis. The Journal of Physical Chemistry 100:1, pages 233-237.
Crossref
George Hc. SmuddeJr.Jr., Terry L. Slager, Charles G. Coe, James E. MacDougall & Scott J. Weigel. (2016) DRIFTS and Raman Investigation of N 2 and O 2 Adsorption on Zeolites at Ambient Temperature . Applied Spectroscopy 49:12, pages 1747-1755.
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A. Sasse & H. Förster. (1995) Adsorption of homonuclear diatomics in zeolites at low temperature studied by FTIR spectroscopy. Journal of Molecular Structure 349, pages 97-100.
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Alexander V. Larin. (1995) Influence of the intramolecular potential of adsorbed hydrogen on frequency shift calculations. Chemical Physics Letters 232:4, pages 383-386.
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E. Cohen de Lara. 1995. Collision- and Interaction-Induced Spectroscopy. Collision- and Interaction-Induced Spectroscopy 287 296 .
A. V. Larin & E. Cohen De Lara. (1994) Method for the calculation of the vibrational frequency shift of physisorbed molecules. Application to H2 adsorbed in NaA zeolite. The Journal of Chemical Physics 101:9, pages 8130-8137.
Crossref
David M. Bishop & Slawomir M. Cybulski. (1994) Calculation of the fundamental vibrational frequencies and intensities of H2, D2, and N2 in the presence of Li+ or Na+. Chemical Physics Letters 230:1-2, pages 177-181.
Crossref
A.V. Larin, F. Jousse & E. Cohen De Lara. 1994. Zeolites and Related Microporous Materials: State of the Art 1994 - Proceedings of the 10th International Zeolite Conference, Garmisch-Partenkirchen, Germany, 17-22 July 1994. Zeolites and Related Microporous Materials: State of the Art 1994 - Proceedings of the 10th International Zeolite Conference, Garmisch-Partenkirchen, Germany, 17-22 July 1994 2147 2154 .
Laure Koubi, Monique Blain, Evelyne Cohen de Lara & Jean-Marie Leclerq. (1994) Vibrational frequency shifts of diatomic molecules in interaction with a Na+ cation by ab initio calculations. Comparison with experiment on H2 and N2 adsorbed in NaA zeolite. Chemical Physics Letters 217:5-6, pages 544-550.
Crossref
E. COHEN DE LARA, R. KAHN, J.P. BOUCHAUD & H. IBNASS. 1993. Proceedings from the Ninth International Zeolite Conference. Proceedings from the Ninth International Zeolite Conference 55 62 .
Horst Förster. 1992. Spectroscopic and Computational Studies of Supramolecular Systems. Spectroscopic and Computational Studies of Supramolecular Systems 29 60 .
Janine Soussen-Jacob, Jean Tsakiris & Evelyne Cohen De Lara. (1989) Adsorption of oxygen molecule in NaA zeolite: Isotherms and infrared measurements. The Journal of Chemical Physics 91:4, pages 2649-2655.
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