The bonding situation in 1,3,2-diazaphospholene derivatives as studied by solid-state NMR spectroscopy

Magnetic Resonance in Chemistry

Volumn 40, Issue 9, 2002, Pages 589-594

  Gudat, Dietrich ^a   Haghverdi, Asadollah ^a   Hoffbauer, Wilfried ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

19F NMR; 31P NMR; Chemical shift calculations; Chemical shift tensors; Dipolar interactions; NMR; Phosphorus heterocycles

Indexed keywords

CHEMICAL BONDS; CHEMICAL SHIFT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; TENSORS;

19F NMR; 31P-NMR; BONDING SITUATION; CHEMICAL SHIFT CALCULATION; CHEMICAL SHIFT TENSORS; DIPOLAR INTERACTION; NMR STUDIES; PHOSPHORUS HETEROCYCLES; QUANTUM-CHEMICAL MODEL; SOLID-STATE NMR SPECTROSCOPY;

POSITIVE IONS;

ALKENE DERIVATIVE; HALIDE; HALOGEN; HETEROCYCLIC COMPOUND;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL MODEL; CHEMICAL STRUCTURE; DIPOLE; ELECTRON TRANSPORT; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SOLID STATE; STRUCTURE ANALYSIS;

EID: 0142024170     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1065     Document Type: Article

References (33)

1. Arduengo AJ, Harlow RL, Kline M. J. Am. Chem. Soc. 1991; 113: 361.
2. (a) Arduengo AJ. Acc. Chem. Res. 1999; 32: 913;
3. (b) Bourissou D, Guerret O, Gabbai FP, Bertrand G. Chem. Rev. 2000; 100: 39.
4. Denk M, Lennon R, Hayashi R, West R, Belyakov AV, Verne HP, Haaland A, Wagner M, Metzler N. J. Am. Chem. Soc. 1994; 116: 2691.
5. Herrmann WA, Denk M, Behm J, Scherer W, Klingan FR, Bock H, Solouki B, Wagner M. Angew. Chem. 1992; 104: 1489; Angew. Chem., Int. Ed. Engl. 1992; 31: 1485.
6. Herrmann WA, Denk M, Behm J, Scherer W, Klingan FR, Bock H, Solouki B, Wagner M. Angew. Chem. 1992; 104: 1489; Angew. Chem., Int. Ed. Engl. 1992; 31: 1485.
7. Gudat D, Gans-Eichler T, Nieger M. Angew. Chem. 2002; 114: 1966; Angew. Chem., Int. Ed. Engl. 2002; 41: 1888.
8. Gudat D, Gans-Eichler T, Nieger M. Angew. Chem. 2002; 114: 1966; Angew. Chem., Int. Ed. Engl. 2002; 41: 1888.
9. Schmidt ES, Jockisch A, Schmidbaur H. J. Am. Chem. Soc. 1999; 121: 9758.
10. Boche G, Andrews P, Harms K, Marsch M, Rangappa KS, Schimeczek M, Willeke C. J. Am. Chem. Soc. 1996; 118: 4925.
11. Litvinov IA, Naumov VA, Gryaznova TV, Pudovik AN, Kibardin AM. Dokl. Akad. Nauk SSSR 1990; 312: 623.
12. (a) Denk MK, Gupta S, Ramachandran R. Tetrahedron Lett. 1996; 37: 9025;
13. (b) Denk MK, Gupta S, Lough AJ. Eur. J. Inorg. Chem. 1999; 41.
14. Carmalt CJ, Lomeli V, McBurnett BG, Cowley AH. J. Chem. Soc., Chem. Commun. 1997; 2095.
15. Gudat D, Haghverdi A, Hupfer H, Nieger M. Chem. Eur. J. 2000; 6: 3414.
16. (a) Heinemann C, Müller T, Apeloig Y, Schwarz H. J. Am. Chem. Soc. 1996; 118: 2023;
17. (b) Boehme C, Frenking G. J. Am. Chem. Soc. 1996; 118: 3039.
18. Arduengo AJ, Dixon DA, Kumashiro KK, Lee C, Power WP, Zilm KW. J. Am. Chem. Soc. 1994; 116: 6361.
19. West R, Buffy JJ, Haaf M, Müller T, Gehrhus B, Lappert MF, Apeloig Y. J. Am. Chem. Soc. 1998; 120: 1639.
20. Duchamp JC, Pakulski M, Cowley AH, Zilm KW. J. Am. Chem. Soc. 1990; 112: 6803.
21. Gudat D, Hoffbauer W, Niecke E, Schoeller WW, Fleischer U, Kutzelnigg W. J. Am. Chem. Soc. 1994; 116: 7325.
22. Burford N, Cameron TS, Clyburne JAC, Eichele K, Robertson KN, Sereda S, Wasylishen RE, Whitla WA. Inorg. Chem. 1996; 35: 5460.
23. Herzfeld J, Berger AE. J. Chem. Phys. 1980; 73: 6021.
24. WINMAS. Bruker-Franzen Analytik: Karlsruhe, 1995.
25. Eichele K, Wasylishen RE. Program WSolids 1, Version 1.17.22. Dalhousie University: Halifax, Canada, 1999.
26. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson BG, Chen W, Wong MW, Andres JL, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98 (Revision A.7). Gaussian: Pittsburgh PA, 1998.
27. (a) Wolinski K, Hinton JF, Pulay P. J. Am. Chem. Soc. 1990; 112: 8251;
28. (b) Pulay P. Theor. Chim. Acta 1979; 50: 299.
29. (a) Jameson CJ, De Dios A, Jameson AK. Chem. Phys. Lett. 1990; 167: 574;
30. (b) Hinderman DK, Cornwell CD. J. Chem. Phys. 1968; 48: 4148.
31. Zilm KW, Grant DM. J. Am. Chem. Soc. 1981; 103: 2913.
32. Eichele K, Wasylishen RE. J. Magn. Reson, A 1994; 106: 46.
33. Mason J (ed.). Multinuclear NMR. Plenum Press: New York, 1987.