Water-catalyzed isomerization of the glycine radical cation. From hydrogen-atom transfer to proton-transport catalysis

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 217-222

  Simon, Sílvia ^a   Sodupe, Mariona ^b   Bertran, Joan ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Glycine radical cation; Isomerization; Proton transport catalysis

Indexed keywords

AMMONIA; CATION; GLYCINE; RADICAL;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL REACTION; ISOMERIZATION; MOLECULAR MECHANICS; PROTON TRANSPORT; REACTION ANALYSIS;

EID: 84962349419     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0523-6     Document Type: Article

References (35)

1. Bohme DK (1992) Int J Mass Spectrom Ion Processes 115:95
2. Audier HE, Leblanc D, Mourges P, McMahon TB, Hammerum S (1994) J Chem Soc Chem Commun 2329
3. Rodriquez CF, Cunje A, Shoeib T, Chu IK, Hopkinson AC, Siu KWM (2000) J Phys Chem A 104:5023
4. Gauld JW, Audier H, Fossey J, Radom L (1996) J Am Chem Soc 118:6299
5. Chalk AJ, Radom L (1997) J Am Chem Soc 119:7573
6. Gauld JW, Radom L (1997) J Am Chem Soc 119:9831
7. Lledós A, Bertran J (1981) Tetrahedron Lett 22:775
8. Bertran J, Lledós A, Revetllat J (1983) Int J Quantum Chem 23:587
9. Zielinski TJ, Porier RA, Peterson MR Csizmadia IG (1983) J Comput Chem 4:419
10. Yamabe T, Yamashita K, Kaminoyama M, Koizumi M, Tachibana A, Fukui K (1984) J Phys Chem 88:1459
11. Bertran J, Lledós A (1985) J Mol Struct (THEOCHEM) 123:211
12. Gorb L, Leszczynski J (1998) J Am Chem Soc 120:5024
13. Guo JX, Ho JJ (1999) J Phys Chem A 103:6433
14. Rodríguez-Santiago L, Vendrell O, Tejero I, Sodupe M, Bertran J (2001) Chem Phys Lett 334:112
15. Simon S, Sodupe M, Bertran J (2002) J Phys Chem A 106:5697
16. Polce MJ, Wesdemiotis C (2000) J Mass Spectrom 35:251
17. Depke G, Heinrich N, Schwarz H (1984) Int J Mass Spectrom Ion Processes 62:99
18. Rega N, Cossi M, Barone V (1997) J Am Chem Soc 119:12962
19. Becke AD (1993) J Chem Phys 98:5648
20. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
21. Gonzalez C, Schlegel HB (1990) J Phys Chem 94:5523
22. McQuarrie D (1986) Statistical mechanics. Harper and Row, New York
23. Barone V, Cossi M (1998) J Phys Chem A 102:1995
24. Klamt A, Schüürmann G (1993) J Chem Soc Perkin Trans 2 799
25. Andzelm J, Kölmel C, Klamt A (1995) J Chem Phys 103:9312
26. Truong TN, Stefanovich EV (1995) Chem Phys Lett 240:253
27. Miertus S, Scrocco E, Tomasi J (1981) Chem Phys 55:117
28. Tomasi J, Persico M (1994) Chem Rev 94:2027
29. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
30. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) Gaussian 98, revision A.7. Gaussian, Pittsburgh, PA
31. Easton CJ (1997) Chem Rev 97:53
32. Stirk KM, Kiminkinen LKM, Kenttämaa HI (1992) Chem Rev 92:1649
33. Yates BF, Bouma WJ, Radom L (1984) J Am Chem Soc 106:5805
34. Bordwell FG, Cheng JP (1989) J Am Chem Soc 111:1792
35. Zhang X, Bordwell FG (1992) J Org Chem 57:4163