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Spectroscopic Characterization, Crystal and Molecular Structure of [ReBr2N(PPh3)2]

Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
Rhenium nitrido-complex [ReNBr2(PPh3)2] has been characterized by X-ray diffraction, IR and UV-Vis spectroscopies. The geometry optimization was carried out with the DFT method using B3LYP functional. The electronic spectrum was calculated with the TDDFT method.
Rocznik
Strony
1193--1203
Opis fizyczny
Bibliogr. 17 poz., rys.
Twórcy
  • Department of Inorganic and Radiation Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland
autor
  • Department of Inorganic and Radiation Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland
autor
  • Department of Theoretical Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland
  • X-Ray Crystallography and Crystal Chemistry Group, Institute of General and Ecological Chemistry, Technical University of Łódź, 116 Żeromski St., 90-924 Łódź, Poland
autor
  • 4Institute of Physics, University of Silesia, 4th Uniwersytecka St., 40-006 Katowice, Poland
Bibliografia
  • 1.Abram U., Lang E.S., Abram S., Wegmann J., Dilworth J.R., Krimse R. and Woollins J.D., J. Chet Soc., Dalton Trans., 623 (1997).
  • 2.Corfield P.W.R., Doedens R.J. and Ibers J.A., Inorg. Chem., 6, 197 (1967).
  • 3.Doedens R.J. and Ibers J.A., Inorg. Chem., 6,204 (1967).
  • 4.Chatt J., Garforth J.D., Johnson N.P. and Rowe G.A., J. Chem. Soc. A, 1012(1964).
  • 5.Sheldrick G.M., SHELXL97. Program for the Refinement of Crystal Structures, University of Göttingen, Germany 1997.
  • 6.Sheldrick G.M., SHELXTL: release 4.1 for Siemens Crystallographic Research Systems 1990.
  • 7.Yam Wing-Wah V., Tam Kwok-Kwong and Lai Ting-Fong, J. Chem. Soc., Dalton Trans., 651 (1993).
  • 8.Addison A.W. and Rao T.N., J. Chem. Soc., Dalton Trans., 1349 (1984).
  • 9.Jeffrey G.A. and Saenger W., Hydrogen Bonding in Biological Structures, Springer-Verlag, 1994.
  • 10.Desiraju G.R. and Steiner T., The Weak Hydrogen Bond in Structural Chemistry and Biology, Oxford University Press, London 1999.
  • 11.Ozerov O.V., Gerard H.F., Watson L.A.,Huffman J.C. and Caulton K.G.,Inorg. Chem.,41,5615 (2002)
  • 12.Abram U., Lang E.S. and Dilworth J.R., Acta Crystallogr., CS3, 289 (1997).
  • 13.Gaussian 03, Revision B.03, Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A Cheeseman J.R., Montgomery J.A., Jr., Vreven T., Kudin K.N., Burant J.C., Miilam J.M., Iyengar S.S Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A.,Nakatsuji H., Ilac M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Naki H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokum K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L, Fox D.J.,KeithT., Al-LahamMA.,PcngC.Y.)NanayakkaraA.,Challacombe, MGill P.M.W.,Johnson B„ Chen W., Wong M.W., Gonzalez C. and Pople J.A., Gaussian, Inc., Pittsburgh PA, 2003.
  • 14. Becke A.D., J. Chem. Phys., 98, 5648 (1993).
  • 15. LeeC Yang W. and Parr R.G., Phys. Rev., B37, 785 (1988).
  • 16. Casida M E, in : Seminario J.M. (Ed.), Recent Developments and Applications in Modem Density Functional Theory, Theoretical and Computational Chemistry, Vol. 4, Elsevier, Amsterdam,
  • 17. Hay P.J. and Wadt W.R., J. Chem. Phys., 82, 299 (1985).
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUJ3-0002-0131
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