Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes
Corresponding Author
G. N. Dolenko
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation; Tel.: +7-395-2-46-35-62; Fax: +7-395-2-46-64-34Search for more papers by this authorB. A. Gostevskii
Institute of Chemistry, Siberian Division, Russian Academy of Sciences, 664033 Irkutsk, Russian Federation
Search for more papers by this authorO. Kh. Poleshchuk
Department of Chemistry, State Pedagogical University, 75 Komsomol'sky Av., 634041 Tomsk, Russian Federation
Search for more papers by this authorJ. Latosinska
Institute of Physics, Adam Mickiewicz University, 85 Umultowska St., 61-614 Poznan, Poland
Search for more papers by this authorM. Ostafin
Institute of Physics, Adam Mickiewicz University, 85 Umultowska St., 61-614 Poznan, Poland
Search for more papers by this authorM. A. Belogolov
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation
Search for more papers by this authorM. V. Grechneva
Institute of Chemistry, Siberian Division, Russian Academy of Sciences, 664033 Irkutsk, Russian Federation
Search for more papers by this authorCorresponding Author
G. N. Dolenko
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation; Tel.: +7-395-2-46-35-62; Fax: +7-395-2-46-64-34Search for more papers by this authorB. A. Gostevskii
Institute of Chemistry, Siberian Division, Russian Academy of Sciences, 664033 Irkutsk, Russian Federation
Search for more papers by this authorO. Kh. Poleshchuk
Department of Chemistry, State Pedagogical University, 75 Komsomol'sky Av., 634041 Tomsk, Russian Federation
Search for more papers by this authorJ. Latosinska
Institute of Physics, Adam Mickiewicz University, 85 Umultowska St., 61-614 Poznan, Poland
Search for more papers by this authorM. Ostafin
Institute of Physics, Adam Mickiewicz University, 85 Umultowska St., 61-614 Poznan, Poland
Search for more papers by this authorM. A. Belogolov
Department of Natural Sciences, East Siberian Institute of Russian Ministry for Internal Affairs, 110 Lermontov St., 664077 Irkutsk, Russian Federation
Search for more papers by this authorM. V. Grechneva
Institute of Chemistry, Siberian Division, Russian Academy of Sciences, 664033 Irkutsk, Russian Federation
Search for more papers by this authorAbstract
C1 Kα line shifts and 35Cl NQR frequencies have been measured for series of titanium tetrachloride complexes. Nonempirical calculations of corresponding free ligands have been carried out on the MP2/6-31G* level. Dependencies of the experimental data obtained on experimental and calculated parameters of ligand donor ability have been analyzed. It is shown that the electron density on acceptor chlorine atoms and the electric field gradient on their nuclei are determined at first by the polarizing effect of the ligand. © 2000 John Wiley & Sons, Inc. Heteroatom Chem 11:177–181, 2000
REFERENCES
- 1 Mazalov, L. N.; Yumatov, V. D.; Murakhtanov, V. V.; Gelmukhanov, F. Kh.; Dolenko, G. N.; Gluskin, E. S.; Kondratenko, A. V. Rentgenovskie Spektry Molekul; Nauka: Novosibirsk, 1977.
- 2 Dolenko, G. N. J Mol Struct 1993, 291, 23.
- 3 Dolenko, G. N.; Latajka, Z.; Ratajczak, H. Heteroat Chem 1995, 6, 553.
- 4 Dolenko, G. N.; Poleshchuk, O. Kh.; Koput, J. Heteroat Chem 1998, 9, 543.
- 5 Poleshchuk, O. Kh.; Nogaj, B.; Dolenko, G. N.; Elin, V. P. J Mol Chem 1993, 297, 295.
- 6 Dolenko, G. N.; Poleshchuk, O. Kh.; Elin, V. P.; Litvin, A. L.; Udachin, I. V.; Ivanovsky, A. V. Bull Akac Sci USSR Div Chem Sci 1989, 38, 2314 (English translation).
- 7 Gutmann, V. Coord Chem Rev 1975, 15, 207.
- 8 Vyazankin, N. S.; Razuvaev, G. A.; Krugkaya, O. A.; Semchikova, G. S. J Organometal Chem 1966, 6, 474.
- 9 Poleshchuk, O. Kh.; Nogaj, B.; Latosinska, J. N.; Glaser, A.; Ostafin, M. J Mol Struct 1997, 415, 153.
- 10 Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachan, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayata, P. Y.; Chen, W.; Wong, M. W.; Andres, J. I.; 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.1, Gaussian Inc., Pittsburg, 1995.
- 11 Vilkov, L. V.; Mastryukov, V. S.; Sadova, N. I. Opredelenie Geometricheskogo Stroeniya Svobodnykh Molekul; Khimiya: Leningrad, 1978.
- 12 Nefedov, V. I.; Gofman, M. M. Koordinacionnaya Khimiya 1978, 4, 820.
- 13 Zverev, V. V.; Kitaev, Yu. P. Uspekhi Khimii 1977, 46, 1515.
- 14 Vovna, V. I. Elektronnaya Struktura Organicheskikh Soedinenii po Dannym Photoelektronnoi Spektroskopii; Nauka: Moscow, 1991.
- 15 Vovna, V. I.; Vilesov, F. I. Uspekhi Photoniki 1975, 3.
- 16 Rabalais, J. W.; Colton, R. J. J Electron Spectrosc Relat Phenomen 1972, 1, 83.
- 17 Townes, C. H.; Dailey, B. P. J Chem Phys 1949, 17, 782.
- 18 Buslaev, Yu. A.; Kravchenko, E. A.; Kolditz, L. Coord Chem Rev 1987, 82, 1.
- 19 Poleshchuk, O. Kh.; Latosinska, J. Koordinacionnaya Khimiya 1996, 22, 33.
