Potential Energy Curve and Dissociation Energy for the SnCl Molecule

[img]PDF - Authorized users only
Language: English
388Kb
Title:Potential Energy Curve and Dissociation Energy for the SnCl Molecule
Creators:
Rajamanickam, Narayanan
Ponraj, Natarajan
Ezhilarasan, Ponpandian Durai
Arumugachamy, Veluchamy
Fernandez Gomez, Manuel
Lopez Gonzalez, Juan Jesus
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 58, 7, pp. 1485-1490

Abstract

The potential energy curve for the electronic ground state of the SnCl molecule has been constructed by the Rydberg-Klein-Rees method in the modification by Vanderslice and collaborators. Empirical potential functions, of five parameters by Hulburt and Hirschfelder, of three parameters by Lippincott and collaborators, and that by Szoke and Baitz using the electronegativity are examined for their adequacy to represent the true curve. The five parameters by Hulburt-Hirschfelder function, <i>U</i>(<i>r</i>) = <i>D</i><sub>e</sub>[(1 - <i>e</i><i><sup>-x</sup></i>)<sup>2</sup> + <i>c x</i><sup>3</sup> <i>e</i><sup>-2</sup><i><sup>x</sup></i> (1 + <i>bx</i>)], was found to be the best fitting function and it was used for the determination of the dissociation energy. The estimated value attained for dissociation energy is 346 ± 8 kJ mol<sup>-1</sup>. For this value of dissociation energy, the estimated values for parameters and expansion coefficients are <i>c</i> = 0.06864, <i>b</i> = -0.363738, <i>a</i><sub>0</sub> = 2.759 . 10<sup>3</sup> m<sup>-1</sup>, <i>a</i><sub>1</sub> = 2.876 and <i>a</i><sub>2</sub> = 4.013, <i>a</i><sub>0</sub>, <i>a</i><sub>1</sub> and <i>a</i><sub>2</sub>, being the Dunham's coefficients.

Title:Potential Energy Curve and Dissociation Energy for the SnCl Molecule
Creators:
Rajamanickam, Narayanan
Ponraj, Natarajan
Ezhilarasan, Ponpandian Durai
Arumugachamy, Veluchamy
Fernandez Gomez, Manuel
Lopez Gonzalez, Juan Jesus
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:58
Number:7
Page Range:pp. 1485-1490
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19931485UNSPECIFIED
ID Code:268
Item Type:Article
Deposited On:06 Feb 2009 16:59
Last Modified:06 Feb 2009 15:59

Citation

Rajamanickam, Narayanan; Ponraj, Natarajan; Ezhilarasan, Ponpandian Durai; Arumugachamy, Veluchamy; Fernandez Gomez, Manuel; Lopez Gonzalez, Juan Jesus (1993) Potential Energy Curve and Dissociation Energy for the SnCl Molecule. Collection of Czechoslovak Chemical Communications, 58 (7). pp. 1485-1490. ISSN 0010-0765

Repository Staff Only: item control page