Conformations of triethylphosphate: A reanalysis of the matrix isolation spectra

Journal of the Indian Institute of Science

Volumn 85, Issue 6, 2005, Pages 403-418

  Sankaran, K ^a   Venkatesan, V ^a,b   Sundararajan, K ^a   Viswanathan, K S ^a  

^a INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH   (India)

^b NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

ab initio; Conformations; Infrared spectroscopy; Matrix isolation; Triethylphosphate

Indexed keywords

CARBON; CONFORMATIONS; INFRARED SPECTROSCOPY; MATRIX ALGEBRA; MOLECULAR STRUCTURE; OXYGEN;

ALKOXY OXYGEN; MATRIX ISOLATION; MOLECULAR ORBITAL; TRIETHYLPHOSPHATE;

PHOSPHORUS COMPOUNDS;

EID: 33847331282     PISSN: 09704140     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (16)

1. V. Vidya, K. Sankaran, and K. S. Viswanathan, Matrix isolation-supersonic jet infrared spectroscopy: Conformational cooling in trimethyl phosphate, Chem. Phys. Lett., 258, 113-117 (1996).
2. L. George, K. S. Viswanathan, and S. J. Singh, Ab initio study of trimethyl phosphate: Conformational analysis, dipole moments, vibrational frequencies and barriers for conformer interconversion, J. Phys. Chem. A, 101, 2459-2464 (1997).
3. R. Streck, A. J. Barnes, W. A. Herrebout, and B. J. van der Veken, Conformational behaviour of trimethyl phosphate studied by infrared spectroscopy, J. Mol. Struct., 376, 277-287 (1996).
4. I. Reva, A. Simao, and R. Fausto, Conformational properties of trimethyl phosphate monomer, Chem. Phys. Lett., 406 126-136 (2005).
5. V. Vidya, K. Sankaran, and K. S. Viswanathan, Conformations of triethyl phosphate: a supersonic jet-matrix isolation and semi-empirical (AM1) study, J. Mol. Struct., 476, 97-104 (1999).
6. V. Vidya, Matrix isolation infrared spectroscopy of organic phosphates and some complexes: Utility of a supersonic jet source for such studies, Ph. D. thesis, University of Madras (1997).
7. F. S. Mortimer, Vibrational assignment and rotational isomerism in some simple organic phosphates, Spectrochim. Acta, 9, 270-281 (1957).
8. V. Venkatesan, K. Sundararajan, K. Sankaran, and K. S. Viswanathan, Conformations of dimethoxymethane: matrix isolation infrared and ab initio studies, Spectrochim. Acta A, 58, 467-478 (2002).
9. V. Venkatesan, K. Sundararajan, and K. S. Viswanathan, Conformations of 1,1-dimethoxyethane: matrix isolation infrared and ab Initio studies, J. Phys. Chem. A, 106, 7707-7713 (2002).
10. V. Venkatesan, K. Sundararajan, and K. S. Viswanathan, Matrix isolation infrared and ab initio study of the conformations of 2,2- dimethoxypropane, Spectrochim. Acta A, 59, 1497-1507 (2003).
11. V. Venkatesan, K. Sundararajan, and K. S. Viswanathan, Conformations of diethoxymethane: matrix isolation infrared and ab Initio studies, J. Phys. Chem. A, 107, 7727-7732 (2003).
12. a skeleton, the carbon atoms attached to the oxygen and labelled with a 'superscripted a' are the anomeric carbon atoms.
13. t skeleton, such as in DEM, the carbon atoms attached to the oxygen and labelled with a 'superscripted a' are the anomeric carbon atoms, while those labelled with a 'superscripted t' are the terminal carbon atoms.
14. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery Jr, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M.Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian 98, Revision A.9, Gaussian Inc., Pittsburgh PA (1998).
15. L. McClellan, Tables of experimental dipole moments, W. H. Freeman, Vol. 1 (1963).
16. R. F. W. Bader, Atoms in molecules, Calendon Press (1994).