SavedAdd your journal

Journals / Sakarya University Journal of Science / 2010 / Cilt: 14 Sayı: 2

THEORETICAL INVESTIGATION OF VIBRATIONAL FREQUENCIES OF [Au(Br)4]-

[Au(Br)4]- İYONUNUN TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ

Cemal PARLAK
Pages
116–118
Publication Date
2010-12-01
DOI
—
🏛️Bibliographic metadata and full text access for this article are provided via DergiPark.
DergiPark Record ↗

Abstract

-

Özet

The normal mode frequencies and corresponding vibrational assignments of tetrabromoaurate ion ([Au(Br)4]-) are theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Au(Br)4]-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz basis set. Infrared and Raman intensities or activities have also been calculated and reported. Theoretical results are successfully compared against available experimental data.

🔖

Cite This Article

PARLAK, C. (2010). THEORETICAL INVESTIGATION OF VIBRATIONAL FREQUENCIES OF [Au(Br)4]-. Sakarya University Journal of Science, Cilt: 14 Sayı: 2, 116–118. https://ajindex.com/articles/942542

📄 Full Text PDF Viewer

📄

PDF görüntüleyici hazırlanıyor...

References (14)

  1. K. Nakamoto, Infrared and Raman spectra of inorganic and coordination compounds, Wiley, New York, 1986.
  2. I. A. Baidina, E. V. Makotchenko, Journal of Structural Chemistry, 51, 187, 2010.
  3. W. J. Louw, W. Robb, Inorganica Chimica Acta, 9, 33, 1974.
  4. M. A. S. Goher, A. E. H. Abdou, W. H. Yip, T. C. W. Mak, Polyhedron, 12, 1879, 1993.
  5. J. P. Juste, I. P. Santos, L. M. L. Marzan, P. Mulvaney, Coordination Chemistry Reviews, 249, 1870, 2005.
  6. A. Molter, F. Mohr, Coordination Chemistry Reviews, 254, 19, 2010.
  7. C. E. Check, T. O. Faust, J. M. Bailey, B. J. Wright, T. M. Gilbert, L. S. Sunderlin, Journal of Physical Chemistry A, 105, 8111, 2001.
  8. C. Parlak, Journal of Molecular Structure, 966, 1, 2010.
  9. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 270, 1985.
  10. W.R. Wadt, P.J. Hay, J. Chem. Phys. 82, 284, 1985.
  11. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82, 299, 1985.
  12. I. Bytheway, M. W. Wong, Chem. Phys. Lett., 282, 219, 1998.
  13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V.G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian 09, Revision A.1, Gaussian Inc., Wallingford CT, 2009.
  14. R.D. Dennington, T. A. Keith, J. M. Millam, GaussView 5.0.8, Gaussian Inc., 2008.