Conformations of trimethyl phosphite: A matrix isolation infrared and ab initio study

Journal of Physical Chemistry A

Volumn 115, Issue 35, 2011, Pages 10059-10068

  Ramanathan, N ^a   Sundararajan, K ^a   Kar, Bishnu Prasad ^a   Viswanathan, K S ^a  

^a INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO COMPUTATIONS; AB INITIO STUDY; CARBON COMPOUNDS; CONFORMATIONAL PREFERENCES; EXPERIMENTAL STUDIES; GLOBAL MINIMA; INTERCONVERSIONS; MATRIX; MATRIX ISOLATION; MATRIX ISOLATION INFRARED SPECTROSCOPY; NATURAL BOND ORBITAL ANALYSIS; ORGANIC PHOSPHATES; SUPERSONIC JET SOURCE; TRANSITION STATE STRUCTURE; TRIMETHYL PHOSPHATE; TRIMETHYL PHOSPHITE;

INFRARED SPECTROSCOPY; SUPERSONIC AERODYNAMICS;

MATRIX ALGEBRA;

EID: 80052332560     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp205368k     Document Type: Article

References (39)

1. Barbi, C.; Emile, D. J. J. Am. Chem. Soc. 1987, 109, 1503
2. Briggs, A. J.; Glenn, R.; Jones, P. G.; Kirby, A. J.; Ramaswamy, P. J. Am. Chem. Soc. 1984, 106, 6200
3. Li, S.; Dory, Y. L.; Deslongchamps, P. Tetrahedron 1996, 52, 14841
4. Thatcher, G. R. J. Anomeric effect and associated stereoelectronic effects; ACS Symposium Series 539; American Chemical Society: Washington, DC, 1993.
5. Ruben, E.; Plumley, J. A.; Chapman, M. S.; Evanseck, J. D. J. Am. Chem. Soc. 2008, 130, 3349
6. George, L.; Sankaran, K.; Viswanathan, K. S.; Mathews, C. K. Appl. Spectrosc. 1994, 48, 7
7. Vidya, V. PhD thesis, University of Madras, 1997.
8. Vidya, V.; Sankaran, K.; Viswanathan, K. S. Chem. Phys. Lett. 1996, 258, 113
9. George, L.; Viswanathan, K. S.; Singh, S. J. Phys. Chem. A 1997, 101, 2459
10. Streck, R.; Barnes, A. J.; Herrebout, W. A.; Van der Veken, B. J. J. Mol. Struct. 1996, 376, 277
11. Venkatesan, V.; Sundararajan, K.; Sankaran, K.; Viswanathan, K. S. Spectrochim. Acta Part A 2002, 58, 467
12. Venkatesan, V.; Sundararajan, K.; Viswanathan, K. S. J. Phys. Chem. A 2002, 106, 7707
13. Venkatesan, V.; Sundararajan, K.; Viswanathan, K. S. Spectrochim. Acta Part A 2003, 59, 1497
14. Venkatesan, V.; Sundararajan, K.; Viswanathan, K. S. J. Phys. Chem. A 2003, 107, 7727
15. Venkatesan, V.; Viswanathan, K. S. J. Mol. Struct. 2010, 973, 89
16. Kavitha, V.; Sundararajan, K.; Viswanathan, K. S. J. Phys. Chem. A 2005, 109, 9259
17. Kavitha, V.; Sankaran, K.; Viswanathan, K. S. J. Mol. Struct. 2006, 791, 165
18. Kavitha, V.; Viswanathan, K. S. J. Phys. Chem. A 2007, 111, 1879
19. Kavitha, V.; Viswanathan, K. S. J. Mol. Struct. 2009, 920, 355
20. Chen, C. F.; Lo, S. F.; Chen, S. H. Diamond Relat. Mater. 1996, 5, 766
21. Xu, H. Y.; Xie, S.; Wang, Q. Y.; Yao, X. L.; Wang, Q. S.; Chen, C. H. Electrochim. Acta 2006, 52, 636
22. Nyquist, R. A. Spectrochim. Acta 1966, 22, 1315
23. Belyakov, A. V.; Dalhus, B.; Haaland, A.; Shorokhov, D. J.; Volden, H. V. J. Chem. Soc., Dalton Trans. 2002, 3756
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, revision B.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
25. Cradock, S.; Hinchcliffe, A. J. Matrix Isolation: A technique for the study of reactive inorganic species; Cambridge University Press: Cambridge, 1975.
26. Sundararajan, K.; Sankaran, K.; Viswanathan, K. S.; Kulkarni, A. D.; Gadre, S. R. J. Phys. Chem. A 2002, 106, 1504
27. The spectra were simulated using SYNSPEC made available by K. Irikura: SYNSPEC; National Institute of Standards and Technology, Gaithesburg, MD, 1995.
28. Glendening, E. D.; Carpenter, J. E.; Weinhold, F. NBO version 3.1.
29. Weinhold, F.; Landis, C. Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective; Cambridge University Press: Cambridge, 2005.
30. Pophristic, V.; Goodman, L. Nature 2001, 411, 565
31. Takahashi, M.; Sakamoto, K. J. Phy. Chem. A 2004, 108, 5710
32. Goodman, L.; Gu, H.; Pophristic, V. J. Phy. Chem. A 2005, 109, 1223
33. Lin, B. O.; Xie, Z.; Liu, R.; Liu, L.; Guo, Q. X. J. Mol. Struct (Theochem) 2003, 633, 15
34. Cramer, C. J. J. Mol. Struct (Theochem) 1996, 370, 135
35. Borba, A.; Zavaglia, A. G.; Simoes, P. N. N. L.; Fausto, R. J. Phys. Chem. A 2005, 109, 3578
36. Borba, A.; Zavaglia, A. G.; Fausto, R. J. Mol. Struct. 2006, 794, 196
37. Reva, I. D.; Ilievab, S. V.; Fausto, R. Phys. Chem. Chem. Phys. 2001, 3, 4235
38. Reva, I. D.; Stepanian, S. G.; Adamowicz, L.; Fausto, R. Chem. Phys. Lett. 2003, 374, 631
39. Rosado, M. T. S.; Jesus, A. J. L.; Reva, I. D.; Fausto, R.; Redinha, J. S. J. Phys. Chem. A 2009, 113, 7499