The decomposition of α-aminophosphine oxides to phosphonic acid derivatives (PIII)

Journal of Molecular Modeling

Volumn 14, Issue 5, 2008, Pages 435-440

  Doskocz, Marek ^a   Roszak, Szczepan ^a   Gancarz, Roman ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Aminophosphine oxides; P C bond cleavage; Reaction mechanism

Indexed keywords

ALPHA AMINOPHOSPHINE OXIDE DERIVATIVE; PHOSPHINE OXIDE DERIVATIVE; PHOSPHONIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DECOMPOSITION; ELIMINATION REACTION; PRIORITY JOURNAL; PROTON TRANSPORT; REACTION ANALYSIS; STEREOCHEMISTRY; STRUCTURE ANALYSIS;

COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDES; PHOSPHINES; PHOSPHONIC ACIDS; QUANTUM THEORY;

EID: 41549134326     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0292-1     Document Type: Article

References (17)

1. Deron A, Gancarz R, Gancarz I, Halama A, Kuźma Ł, Rychlewski T, Zoń J (1999) Phosphorus Sulfur Silicon 144:437-440, DOI 10.1080/10426509908039590
2. Goldeman W, Olszewski TK, Boduszek B, Sawka-Dobrowolska W (2006) Tetrahedron 62:4506-4518, DOI 10.1016/j.tet.2006.02.048
3. Boduszek B (1996) Tetrahedron 52:12483-12494, DOI 10.1016/ S0040-4020(97)00721-7
4. Doskocz M, Majumdar D, Doskocz J, Roszak S, Gancarz R, Leszczynski J (2008) J Phys Chem A 112:2077-2081, DOI 10.1021/jp0762370
5. Lim M, Cramer CJ (1998) J Phys Org Chem 11:149-154, DOI 10.1002/ (SICI)1099-1395(199802)11:2<149::AID-POC983>3.0.CO;2-2
6. Lipok J, Cierpicki T, Kafarski P (2002) Phosphorus Sulfur Silicon 177:1657-1660, DOI 10.1080/10426500212319
7. Doskocz M, Gancarz R, Roszak S (2007) Polish J Chem 81:2013-2022
8. Emsley J, Hall D (1976) The chemistry of phosphorus. Wiley, New York, pp 311-325
9. Becke AD (1993) J Chem Phys 98:5648-5652, DOI 10.1063/1.464913
10. Sigfridsson E, Ryde U (1997) J Comput Chem 19:377-395, DOI 10.1002/ (SICI)1096-987X(199803)19:40
11. Eckert F, Klamt A (2002) AlChE J 48:369-385, DOI 10.1002/aic.690480220
12. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, 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, Bakken V, 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 (2004) Gaussian 03. Gaussian Inc, Pittsburgh PA
13. Dennington R, Keith T, Millam J, Eppinnett K, Hovell WL, Gilliland R (2003) GaussView Version 3.09. Semichem Inc, Pittsburgh PA
14. Boduszek B, Latajka R, Leśniak W (2002) Phosphorus Sulfur Silicon 165:53-75, DOI 10.1080/10426500008076325
15. Gancarz R, Doskocz M (2004) Ann Polish Chem Soc 3:48-51
16. Doskocz M, Miziak P, Gancarz R (2005) Polish J Chem 79:547-552
17. Sjoberg P, Politzer P (1990) J Phys Chem 94:3959-3961, DOI 10.1021/ j100373a017