Sains Malaysiana 47(5)(2018): 999–1003

http://dx.doi.org/10.17576/jsm-2018-4705-15

 

Determining the Type of Bond between Diatomic Cluster of Platinum and Hydrogen: Quantum Mechanical Approach

(Penentuan Jenis Ikatan antara Kelompok Dwiatom Platinum dan Hidrogen: Pendekatan Mekanik Kuantum)

 

M.A. MISWAN*, M.M. ANAS & G. GOPIR

 

Pusat Pengajian Fizik Gunaan, Fakulti Sains dan Teknologi, Universiti Kebangsaan Malaysia, 43650 UKM Bangi, Selangor Darul Ehsan, Malaysia

 

Received: 24 April 2017/Accepted: 14 December 2017

 

ABSTRACT

Type of bond is vital to understand the mechanism of interaction between corresponds atoms. We used three kinds of method to determine the type of bond between diatomic cluster of platinum and hydrogen: types of element, electronegativity and electron distribution. In this work, we found that the results from these three methods are not unanimously agreed with each other for bond type forming in platinum-hydrogen diatomic cluster. Thus, we conclude that the type of bond is hybrid of both: mainly covalent and slightly ionic.

 

Keywords: Diatomic cluster; hybrid-bond; platinum; type of bond

 

ABSTRAK

Jenis ikatan adalah penting bagi memahami mekanisme sesuatu interaksi antara dua atom terbabit. Kami telah menggunakan tiga kaedah dalam menentukan jenis ikatan di antara kelompok dwi-atom platinum dan hidrogen: jenis unsur, keelektronegatifan dan taburan elektron. Dalam kajian ini, kami dapati bahawa keputusan daripada ketiga-tiga kaedah tidak sepakat mengenai jenis ikatan yang terbentuk antara kelompok dwi-atom platinum dan hidrogen. Oleh itu, kami menyimpulkan bahawa jenis ikatan yang terbentuk adalah campuran ikatan kovalen dan ionik.

 

Kata kunci: Ikatan kacukan; jenis ikatan; kelompok dwiatom; platinum

REFERENCES

Árnadóttir, L., Stuve, E.M. & Jónsson, H. 2010. Adsorption of water monomer and clusters on platinum (111) terrace and related steps and kinks. Surface Science 604(21-22): 1978-1986.

Bader, R.F. 1991. A quantum theory of molecular structure and its applications. Chemical Reviews 91(5): 893-928.

Othman, A., Aadenan, A., Anas, M.M. & Gopir, G. 2015. Calculation of electron density distribution in cd0.5zn0.5s by density functional theory: Exploring its bonding character and stability. AMR Advanced Materials Research 1108: 21-25.

Pauling, L. 1932. The nature of the chemical bond. III. The transition from one extreme bond type to another. Journal of the American Chemical Society 54(3): 988-1003.

Perdew, J.P., McMullen, E.R. & Zunger, A. 1981. Density-functional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge. Physical Review A23(6): 2785.

Slater, J.C. 1951. A simplification of the Hartree-Fock method. Physical Review 81(3): 385.

Wang, J., Wang, W., Kollman, P.A. & Case, D.A. 2006. Automatic atom type and bond type perception in molecular mechanical calculations. Journal of Molecular Graphics and Modelling 25(2): 247-260.

Zhou, C., Wu, J., Nie, A., Forrey, R.C., Tachibana, A. & Cheng, H. 2007. On the sequential hydrogen dissociative chemisorption on small platinum clusters: A density functional theory study. Journal of Physical Chemistry C 111(34): 12773-12778.

 

 

*Corresponding author; email: amirullahmiswan@gmail.com