Chemical bonding in the crystal structure of 1-hydrosilatrane

Russian Chemical Bulletin

Volumn 58, Issue 1, 2009, Pages 25-30

  Korlyukov, A A ^a   Antipin, M Yu ^a   Bolgova, Yu I ^b   Trofimov, O M ^b   Voronkov, M G ^b  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^b A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

1 hydrosilatrane; Basis sets of plane waves; Density functional theory; N Si bond energy; Quantum chemical calculations; Silatranes; X ray diffraction study

Indexed keywords

EID: 77649268516     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11172-009-0004-8     Document Type: Article

References (39)

1. M. G. Voronkov, V. M. D'yakov, Silatrany [Silatranes], Novosibirsk, Nauka, 1978, 208 pp. (in Russian).
2. M. G. Voronkov V. M. D'yakov S. V. Kirpichenko 1982 J. Organomet. Chem. 233 1 10.1016/S0022-328X(00)86939-9 1:CAS:528:DyaL38XlsVCru74%3D
3. J. G. Verkade 1994 Coord. Chem. Rev. 137 233 10.1016/0010-8545(94)03007-D 1:CAS:528:DyaK2MXisFartLw%3D
4. V. Pestunovich, S. Kirpichenko, M. Voronkov, in The Chemistry of Organic Silicon Compounds, Vol. 2, Eds Z. Rappoport, Y. Apeloig,Wiley, Chichester, 1998, p. 1447.
5. G. I. Zelchan, M. G. Voronkov, Khim. Geterotsikl. Soyedin., 1967, 371 [Chem. Heterocycl. Compd. (Engl. Transl.),1967].
6. M. G. Voronkov E. I. Brodskaya P. Reich S. G. Shevchenko V. P. Baryshok Yu. L. Frolov 1979 J. Organomet. Chem. 164 35 10.1016/S0022-328X(00)83117-4 1:CAS:528:DyaE1MXht1Smsbc%3D
7. I. F. Shishkov L. V. Khristenko F. M. Rudakov A. B. Golubinski L. V. Vilkov S. S. Karlov G. S. Zaitseva S. Samdal 2004 Struct. Chem. 15 11 10.1023/B:STUC.0000010464.93848.bd 1:CAS:528:DC%2BD2cXhtFal
8. Q. Shen R. L. Hilderbrandt 1980 J. Mol. Struct. 64 257 10.1016/0022-2860(80)80136-0 1:CAS:528:DyaL3cXlsV2ltb8%3D
9. G. Forgacs M. Kolonits I. Hargittai 1990 Struct. Chem. 1 245 10.1007/BF00674268 1:CAS:528:DyaK3cXlvFWntrY%3D
10. M. V. Zabalov, C. C. Karlov, G. S. Zaytseva, D. A. Lemenovskiy, Izv. Akad. Nauk. Ser. Khim., 2006, 448 [Russ. Chem. Bull., Int. Ed., 2006, 55, 464].
11. K. A. Lyssenko, A. A. Korlyukov, M. Yu. Antipin, S. P. Knyazev, V. N. Kirin, N. V. Alexeev, E. A. Chernyshev, Mendeleev Commun., 2000, 88.
12. L. Parkanyi P. Hencsei L. Bihatsi T. Muller 1984 J. Organomet. Chem. 269 1 10.1016/0022-328X(84)80270-3 1:CAS:528:DyaL2cXksVKktL8%3D
13. M. P. Demidov V. E. Shklover Yu. L. Frolov Yu. A. Lukina V. M. D'yakov Yu. T. Struchkov M. G. Voronkov 1985 Zh. Strukt. Khim. 26 103 1:CAS:528:DyaL2MXlslShsb8%3D
14. M. G. Voronkov V. V. Belyayeva 2002 Zh. Obshch. Khim. 72 2012
15. V. P. Kazakov Yu. D. Koreshkov 1979 Zh. Fiz. Khim. 53 89 1:CAS:528:DyaE1MXhvVGrtrg%3D
16. Tablitsy konstant skorosti i ravnovesiya geteroliticheskikh organicheskikh reaktsiy [Tables of Rate Constants and Equilibrium for Heterocyclic Organic Reactions], Ed. V. A. Pal'm, VINITI, Moscow, 1979, 5, 283 pp. (in Russian).
17. M. G. Voronkov, I. F. Kovalev, I. V. Shevchenko, Yu. I. Khudobin, Izv. Akad. Nauk SSSR, Ser. Khim., 1973, 2479 [Bull. Acad. Sci. USSR, Div. Chem. Sci (Engl. Transl.), 1973, 12].
18. S. S. Karlov A. A. Selina E. S. Chernyshova Y. F. Oprunenko A. A. Merkulov V. A. Tafeenko A. V. Churakov J. A. K. Howard G. S. Zaitseva 2007 Inorg. Chim. Acta 360 563 10.1016/j.ica.2006.07.109 1:CAS:528: DC%2BD2sXks1yquw%3D%3D
19. A. A. Korlyukov K. A. Lyssenko M. Yu. Antipin V. N. Kirin E. A. Chernyshev S. P. Knyazev 2002 Inorg. Chem. 41 5043 10.1021/ic010842e 1:CAS:528:DC%2BD38XmvVGnurw%3D
20. L. Wu-Jiang H. Man-Shui H. Ming-Sheng H. Sheng-Zhi 1991 Chin. J. Struct. Chem. (Jiegou Huaxue) 10 258
21. S. S. Karlov D. A. Tyurin M. V. Zabalov A. V. Churakov G. S. Zaitseva 2005 J. Mol. Struct.: THEOCHEM 724 31 10.1016/j.theochem.2005.01.036 1:CAS:528:DC%2BD2MXlt1Ght7o%3D (Pubitemid 40792987)
22. K. W. Tornroos, Acta, Sect. C50, 1994, 1646.
23. R. F. W. Bader, Atoms in Molecules. A Quantum Theory, Clarendon Press, Oxford, 1990.
24. E. Espinosa E. Molins C. Lecomte 1998 Chem. Phys. Lett. 285 170 10.1016/S0009-2614(98)00036-0 1:CAS:528:DyaK1cXhvF2jtL8%3D
25. Yu. A. Abramov, Acta Crystallogr., Sect. A53, 1997, 264.
26. D. A. Kirzhnits 1957 Zh. Ekp. Teor. Fiz. 5 64
27. M. G. Voronkov, V. A. Kluchnikov, A. N. Korchagina, T. F. Danilova, G. N. Shvets, V. P. Baryshok, V. M. D'yakov, Izv. Akad. Nauk SSSR, Ser. Khim., 1986, 1976 [Bull. Acad. Sci. USSR, Div. Chem. Sci (Engl. Transl.), 1986, 35].
28. E. I. Brodskaya, M. G. Voronkov, Izv. Akad. Nauk SSSR, Ser. Khim., 1986, 1694 [Bull. Acad. Sci. USSR, Div. Chem. Sci (Engl. Transl.), 1986, 35].
29. M. G. Voronkov V. P. Baryshok V. A. Klyuchnikov A. N. Korchagina V. I. Pepekin 1989 J. Organomet. Chem. 359 169 10.1016/0022-328X(89)85426-9 1:CAS:528:DyaL1MXitVSitb8%3D
30. F. Rioux M. W. Schmidt M. S. Gordon 1997 Organometallics 16 158 10.1021/om960567h 1:CAS:528:DyaK2sXotVSqtA%3D%3D
31. A. D. Becke K. E. Edgecombe 1990 J. Chem. Phys. 92 5397 10.1063/1.458517 1:CAS:528:DyaK3cXisVSlu78%3D
32. J. Molina J. Dobado 2001 Theor. Chem. Acc. 105 328 1:CAS:528: DC%2BD3MXjsVelsbs%3D
33. A. A. Korlyukov, K. A. Lyssenko, M. Yu. Antipin, A. G. Shipov, E. P. Kramarova, T. P. Murasheva, Vad. V. Negrebetskii, Yu. E. Ovchinnikov, S. A. Pogozhikh, I. P. Yakovlev, Yu. I. Baukov, Khim. Geterotsikl. Soyedin., 2006, 1866 [Chem. Heterocycl. Compd. (Engl. Transl.), 2006, 1866].
34. N. Kocher J. Henn B. Gostevskii D. Kost I. Kalikhman B. Engels D. Stalke 2004 J. Am. Chem. Soc. 126 5563 10.1021/ja038459r 1:CAS:528:DC%2BD2cXis1Oru7Y%3D (Pubitemid 38596366)
35. G. Kresse, J. Hafner, Phys. Rev., B47, 1993, RC558;
36. (b) Kresse, Thesis, Technische Universität Wien, 1993;
37. (c) G. Kresse, J. Furthmuller, Comput. Mat. Sci., 1996, 6, 15;
38. (d) G. Kresse, J. Furthmuller, Phys. Rev., B54, 1996, 11169.
39. X. Gonze J.-M. Beuken R. Caracas F. Detraux M. Fuchs G.-M. Rignanese L. Sindic M. Verstraete G. Zerah F. Jollet M. Torrent A. Roy M. Mikami Ph. Ghosez J.-Y. Raty D. C. Allan 2002 Comput. Mat. Sci. 25 478 10.1016/S0927-0256(02) 00325-7 (Pubitemid 35251749)