Theoretical study on thermodynamic properties and stabilities of n-silanes

Phosphorus, Sulfur and Silicon and the Related Elements

Volumn 186, Issue 9, 2011, Pages 1948-1961

  Ye, Cai Chao ^a   Xie, Li Feng ^a   Ju, Xue Hai ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

first principle calculation; Gibbs free energy of formation; heat of formation; n Silanes; stability

Indexed keywords

EID: 80052289314     PISSN: 10426507     EISSN: 15635325     Source Type: Journal    
DOI: 10.1080/10426507.2011.553209     Document Type: Article

References (19)

1. A. Stock, J. Phys. Chem., 38, 714-715 (1934).
2. H. L. Beach, E. A. Mackley, R. C. Rogers, and W. Chinitz, 17th JANNAF Combustion Meeting, CPIA Publication 329, 1, 639-659 (1980).
3. M. Gerstein and P. R. Choudhury, J. Propul. Power, 1, 399-402 (1985).
4. G. B. Northam and A. G. McLain, The 22nd JANNAF Combustion Meeting, CPIA Publication 432, 1, 411-416 (1985).
5. D. Simone and C. Bruno, J. Propul. Power, 22, 1006-1011 (2006).
6. G. Katzer, M. C. Ernst, A. F. Sax, and J. Kalcher, J. Phys. Chem. A, 101, 3942-3958 (1997).
7. P. Ho, M. E. Coltrin, J. S. Binkley, and C. F.Melius, J. Phys. Chem., 90, 3399-3406 (1986).
8. H. Wong, J. C. A. Nieto, M. T. Swihart, and L. J. Broadbelt, J. Phys. Chem. A, 108, 874-897 (2004).
9. M. D. Wodrich, C. Corminboeuf, and P. V. R. Schleyer, Org. Lett., 8, 3631 (2006).
10. O. Castano, R. Notario, R. Gomperts, J. L. M. Abboud, R. Palmeiro, and J. L. Andres, J. Phys Chem. A, 102, 4949-4951 (1998).
11. B. M. Rice, A. V. Pai, and J. Hare, Combust. Flame, 118, 445-458 (1999).
12. X. H. Ju, Y. M. Li, and H. M. Xiao, J. Phys. Chem. A, 109, 934-938 (2005).
13. X. W. Fan and X. H. Ju, J. Comput. Chem., 29, 505-513 (2008).
14. S. W. Benson, Thermochemical Kinetics (Wiley-Interscience, New York, 1976), 2nd ed.
15. I. Mills, T. Cvitas, K. Homann, N. Kallay, and K. Kuchitsu, Quantities, Units and Symbols in Physical Chemistry (Blackwell Scientific Publications, Oxford, 1988).
16. S. J. Blanksby and G. B. Ellison, Acc. Chem. Res., 36, 255-263 (2003).
17. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J.M.Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian 03, Revision B.03 (Gaussian, Inc., Pittsburgh, PA, 2003).
18. D. R. Lide, Ed., CRC Handbook of Chemistry and Physics (CRC Press/Taylor and Francis, Boca Raton, FL, 2008), 88th ed.
19. R. Walsh, Acc. Chem. Res., 14, 246-252 (1981).