Theoretical study on the gas-phase reaction mechanism between rhodium monoxide cation and methane

Structural Chemistry

Volumn 22, Issue 5, 2011, Pages 983-997

  Yang, Meng Yao ^a,b   Yang, Hua Qing ^a,b   Gao, Chao ^a,b   Qin, Song ^a   Hu, Chang Wei ^a  

^a Sichuan University   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

B3LYP; CCSD(T); Methane; Methanol; Rhodium monoxide cation

Indexed keywords

EID: 80955166162     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9785-0     Document Type: Article

References (65)

1. Crabtree RH (1995) Chem Rev 95:987
2. Enger BC, Lødeng R, Holmen A (2008) Appl Catal A 346:1
3. Gesser HD, Hunter NR, Prakash CB (1985) Chem Rev 85:235
4. Hall C, Perutz RN (1996) Chem Rev 96:3125
5. Bergman RG (1984) Science 223:902
6. Periana RA, Taube DJ, Evitt ER, Löffler DG, Wentrcek PR, Voss G, Masuda T (1993) Science 259:340
7. Periana RA, Taube DJ, Gamble S, Taube H, Satoh T, Fujii H (1998) Science 280:560
8. Baik M-H, Newcomb M, Friesner RA, Lippard SJ (2003) Chem Rev 103:2385
9. Hwang D-Y, Mebel AM (2002) J Phys Chem A 106:12072
10. Hwang D-Y, Mebel AM (2002) Chem Phys Lett 365:140
11. Hwang D-Y, Mebel AM (2001) Chem Phys Lett 348:303
12. Broclawik E, Yamauchi R, Endou A, Kubo M, Miyamoto A (1996) J Chem Phys 104:4098
13. Broclawik E, Haber J, Endou A, Stirling A, Yamauchi R, Kubo M, Miyamoto A (1997) J Mol Catal A 119:35
14. Fu G, Xu X, Lu X, Wan H (2005) J Am Chem Soc 127:3989
15. Xu X, Faglioni F, Goddard WA (2002) J Phys Chem A 106:7171
16. Wang G, Gong Y, Chen M, Zhou M (2006) J Am Chem Soc 128:5974
17. Chen M, Huang Z, Zhou M (2004) J Phys Chem A 108:5950
18. Wang G, Chen M, Zhou M (2004) J Phys Chem A 108:11273
19. Wang G, Lai S, Chen M, Zhou M (2005) J Phys Chem A 109:9514
20. Wang G, Zhou M (2008) Int Rev Phys Chem 27:1
21. Yang H-Q, Hu C-W, Qin S (2006) Chem Phys 330:343
22. Qin S, Yang H-Q, Qin S, Xu J, Tang D-Y, Hu C-W (2008) J Theor Comput Chem 7:189
23. Hu C-W, Yang H-Q, Wong N-B, Chen Y-Q, Gong M-C, Tian A-M, Li C, Li W-K (2003) J Phys Chem A 107:2316
24. Yang H-Q, Qin S, Qin S, Hu C-W (2009) J Comput Chem 30:847
25. Gao C, Yang H-Q, Xu J, Qin S, Hu C-W (2010) J Comput Chem 31:938
26. Ryan MF, Fiedler A, Schröder D, Schwarz H (1995) J Am Chem Soc 117:2033
27. Schröder D, Schwarz H (1990) Angew Chem Int Ed Engl 29:1433
28. Schröder D, Fiedler A, Hrušák J, Schwarz H (1992) J Am Chem Soc 114:1215
29. Schröder D, Schwarz H (1995) Angew Chem Int Ed Engl 34:1973
30. Wesendrup R, Schröder D, Schwarz H (1994) Angew Chem 106:1232
31. Wesendrup R, Schröder D, Schwarz H (1994) Angew Chem Int Ed Engl 33:1174
32. Pavlov M, Blomberg MRA, Siegbahn PEM, Wesendrup R, Heinemann C, Schwarz H (1997) J Phys Chem A 101:1567
33. Schröder D, Roithová J (2006) Angew Chem 118:5835
34. Schröder D, Roithová J (2006) Angew Chem Int Ed 45:5705
35. Roithová J, Schröder D (2010) Chem Rev 110:1170
36. Schröder D, Roithová J, Alikhani E, Kwapien K, Sauer J (2010) Chem Eur J 16:4110
37. Chen Y-M, Clemmer DE, Armentrout PB (1994) J Am Chem Soc 116:7815
38. Yoshizawa K, Shiota Y, Yamabe T (1997) Chem Eur J 3:1160
39. Yoshizawa K, Shiota Y, Yamabe T (1998) Organometallics 17:2825
40. Yoshizawa K, Shiota Y, Yamabe T (1998) J Am Chem Soc 120:564
41. Yoshizawa K (2000) J Inorg Biochem 78:23
42. Shiota Y, Yoshizawa K (2000) J Am Chem Soc 122:12317
43. Yoshizawa K (2002) Coord Chem Rev 226:251
44. Yoshizawa K (2006) Acc Chem Res 39:375
45. Schröder D, Schwarz H, Clemmer DE, Chen Y, Armentrout PB, Baranov VI, Böhme DK (1997) Int J Mass Spectrom 161:175
46. Zhang G, Li S, Jiang Y (2004) Organometallics 23:3656
47. Buyevskaya OV, Wolf D, Baerns M (1994) Catal Lett 29:249
48. Buyevskaya OV, Walter K, Wolf D, Baerns M (1996) Catal Lett 38:81
49. Blomberg MRA, Siegbahn PEM, Svensson M (1992) J Am Chem Soc 114:6095
50. Wang G, Chen M, Zhou M (2005) Chem Phys Lett 412:46
51. Chen Y-M, Armentrout PB (1995) J Phys Chem 99:10775
52. Siegbahn PEM (1996) J Am Chem Soc 118:1487
53. Espinosa-Garc?́a J, Corchado JC, Truhlar DG (1997) J Am Chem Soc 119:9891
54. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Vreven T Jr, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, 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 JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) Gaussian 03, Revision B.05. Gaussian, Inc., Wallingford, CT
55. Becke AD (1988) Phys Rev A 38:3098
56. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
57. Miehlich B, Savin A, Stoll H, Preuss H (1989) Chem Phys Lett 157:200
58. Gonzalez C, Schlegel HB (1990) J Phys Chem 94:5523
59. Gonzalez C, Schlegel HB (1989) J Chem Phys 90:2154
60. Reed AE, Weinstock RB, Weinhold FJ (1985) Chem Phys 83:735
61. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
62. Eyring H (1935) J Chem Phys 3:107
63. Wigner E (1937) J Chem Phys 5:720
64. Westerberg J, Blomberg MRA (1998) J Phys Chem A 102:7303
65. Domingo LR, Sáez JA (2009) Org Biomol Chem 7:3576