A one-dimensional particle-in-a-box may be used to illustrate the import kinetic energy quantization in covalent bond formation. For example, the electronic energy change associated with the reaction H+H H2 may be modeled by treating each reactant H atom as an electron in a one-dimensional box of length LH 5a0 (the 99% electron density diameter of hydrogen), and treating he diatomic H2 as a one-dimensional box of length LH2 RB+5ao (where ao is the Bohr radius of hydrogen and Re 0.74 Γ is the experimental bond length of H2). (a) Use the above particle-in-a-box model to model ance of predict the bond formation energy of H2, and compare your result with the experi- mental value of -436 kJ/mol. (b) What interactions have been neglected in the above calculation and what does your result imply with regard to the importance of kinetic energy quantization in covalent bond formation?
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A one-dimensional particle-in-a-box may be used to illustrate the import kinetic energy quantization...
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