A theoretical investigation on stability and chemical shifts in 13C NMR of formaldehyde encapsulated in faujasite zeolites

Journal of Physical Chemistry Letters

Volumn 1, Issue 3, 2010, Pages 652-656

  Tomita, Mitsuru ^a   Masui, Yoichi ^a   Onaka, Makoto ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Catalysis; Interfaces; Surfaces

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; AMBIENT CONDITIONS; CARBONYL CARBON; DIFFERENT SI/AL RATIO; EXTRAFRAMEWORK; FAUJASITE ZEOLITES; FAUJASITES; INTERFACES; LABILE MOLECULES; NANOCAGES; NMR CHEMICAL SHIFTS; THEORETICAL INVESTIGATIONS; THERMODYNAMIC EQUILIBRIA; TRIOXANE;

ADSORPTION; CATALYSIS; CHEMICAL SHIFT; FORMALDEHYDE; NUCLEAR MAGNETIC RESONANCE; SILICATE MINERALS; ZEOLITES;

CHEMICAL STABILITY;

EID: 77749240192     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz9003608     Document Type: Article

References (19)

1. Frising, T.; Leflaive, P. Microporous Mesoporous Mater. 2008, 114, 27-63.
2. Lim, K. H.; Grey, C. P. J. Am. Chem. Soc. 2000, 122, 9768-9780.
3. Beauvais, C.; Guerrault, X.; Coudert, F. X.; Boutin, A.; Fuchs, A. H. J. Phys. Chem. B 2004, 108, 399-404.
4. Buttefey, S.; Boutin, A.; Mellot-Draznieks, C.; Fuchs, A. H. J. Phys. Chem. B 2001, 105, 9569-9575.
5. Angelo, J.; Stork, G. J. Am. Chem. Soc. 1974, 96, 7114-7116.
6. Hajos, Z. G.; Parrish, D. R. J. Org. Chem. 1973, 38, 3244-3249.
7. Lucast, D. H.; Wemple, J. Synthesis 1976, 724-725.
8. Okachi, T.; Fujimoto, K.; Onaka, M. Org. Lett. 2002, 4, 1667-1669.
9. Okachi, T.; Onaka, M. J. Am. Chem. Soc. 2004, 126, 2306-2307.
10. Imachi, S.; Onaka, M. Chem. Lett. 2005, 34, 708-709.
11. Kobayashi, K.; Igura, Y.; Imachi, S.; Masui, Y.; Onaka, M. Chem. Lett. 2007, 36, 60-61.
12. Sangthong, W.; Probst, M.; Limtrakul, J. J. Mol. Struct. 2005, 748, 119-127.
13. Sivaguru, J.; Natarajan, A.; Kaanumalle, L. S.; Shailaja, J.; Uppili, S.; Joy, A.; Ramamurthy, V. Acc. Chem. Res. 2003, 36, 509-521.
14. Yamashita, H.; Takada, S.; Hada, M.; Nakatsuji, H.; Anpo, M. J. Photochem. Photobiol. A 2003, 160, 37-42.
15. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb,M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi,R.; Pomelli,C.;Ochterski, J.W.; Ayala, P.Y.;Morokuma, K.; Voth,G.A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski,V.G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck,A.D.; Raghavachari,K.; Foresman, J. B.;Ortiz, J.V.; Cui,Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox,D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M.W.; Johnson, B.; Chen,W.;Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
16. Kagaku Binran (Chemistry Handbook), basic 4th ed./applied 5th ed.; CSJ Publications: Maruzen, Tokyo, 2004.
17. Maurin, G.; Plant, D. F.; Henn, F.; Bell, R. G. J. Phys. Chem. B 2006, 110, 18447-18454.
18. Plant, D. F.; Maurin, G.; Jobic, H.; Llewellyn, P. L. J. Phys. Chem. B 2006, 110, 14372-14378.
19. Tielens, F.; Geerlings, P. Chem. Phys. Lett. 2002, 354, 474-482.