KaydedilenlerDerginizi ekleyin

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

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

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

Cemal PARLAK
Sayfa
116–118
Yayın Tarihi
2010-12-01
DOI
—
🏛️Bu makalenin bibliyografik verileri ve tam metin bağlantısı DergiPark üzerinden sağlanmıştır.
DergiPark Kaydı ↗
✨

Yapay Zeka Hızlı Bakış & Çıkarımlar

AI Insight
⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

Theoretical results are successfully compared against available experimental data.

📌 3 Maddede Bu Makale

🎯
Amaç & Hipotez:The normal mode frequencies and corresponding vibrational assignments of tetrabromoaurate ion ([Au(Br)4]-) are theoretically examined by means of standard quantum chemical technique.
📊
Temel Bulgular & Veri:All normal modes have been successfully assigned utilizing the D4h symmetry of [Au(Br)4]-.
💡
Sonuç & Katkı:Theoretical results are successfully compared against available experimental data.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:[Au(Br)4]- · DFT · Titreşim işaretlemesi

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.

Abstract

-

🔖

Bu Makaleye Atıf Yap

PARLAK, C. (2010). [Au(Br)4]- İYONUNUN TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ. Sakarya University Journal of Science, Cilt: 14 Sayı: 2, 116–118. https://ajindex.com/articles/942542

📄 Tam Metin PDF Okuyucu

📄

PDF görüntüleyici hazırlanıyor...

Kaynakça (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.