A²π - X ²Σ⁺ electronic spectrum of ZnD
| dc.contributor.author | Taylor, Alan William | en_US |
| dc.date.accessioned | 2024-08-15T20:07:45Z | |
| dc.date.available | 2024-08-15T20:07:45Z | |
| dc.date.copyright | 1980 | en_US |
| dc.date.issued | 1980 | |
| dc.degree.department | Department of Chemistry | |
| dc.degree.level | Master of Science M.Sc. | en |
| dc.description.abstract | The band spectrum of ZnD in the region 350 - 500 nm has been recorded in emission with a Jarrell - Ash 70-000 series , 3.4 meter Ebert Spectrograph. The electronic transition involved is the A²π (near case (a)) - X ²Σ⁺ (case (b)) system. The following bands have been analyzed: 0-0, 0- 1, 0-2, 1-0, 1-1, 1-2, 1-3, 2-1, 2-2, and 2-3. The 3- 2 band is also present, as is probably the 2-4 band and possibly the 3-3 band , but these have not been fully investigated. The principal molecular constants for the X ²Σ⁺ state of ⁶⁴ZnD are as follows (in cm⁻¹, except where noted): Bᵥ = 3.399₀ - 0.0963₇(v + 1/2) - 0.00497₁ (v + 1/2)²; Dᵥ = 1.15₆ x 10⁻⁴ + 0.0064₄ x 10⁻⁴ (v + 1/2); rₑ = 0.1593₇ nm; γ₀ = 0.122₄, γ₁ = 0.112₈, γ₂ = 0.106₅, γ₃ = 0.098₇; G(v) = -0.38₆ + 1 141.5₄(v + 1/2) -24.2₉ (v + 1/2)² - 0.96₂(v + 1/2)³; kₑ = 149.91 N·m⁻¹. The formula of Mulliken and Christy, with the Almy and Horsfall centrifugal distortion term, has been used to obtain the rotational constants of the A²π state of ⁶⁴ZnD. The principal constants follow: Bᵥ = 3.777₂ - 0.086₈ (v + 1/2); D₀ = 1.14₃ x 10⁻⁴; rₑ = 0.151 1₉ nm; A₀ = 343.28₆, A₁ = 342.55₅, A₂ = 342.03₅; p₀ = 0.149₀, p₁ = 0.135, p₂ = 0.110₄; q₀ = 0.001 5₃, q₁ = 0.002₆, q₂ = 0.002₉; G(v) = 0.1₈ + 1351.48₇ (v + 1/2) - 20.69₃ (v + 1/2)²; kₑ = 213.25₃ N·m⁻¹. Effective constants for the individual substates have also been calculated. The origin of the band system, υₑ, is 23280.54₇ cm⁻¹ (with Yₒₒ included with the electronic energy, rather than with the vibrational energy). RKR potential energy curves and Franck-Condon factors have been calculated. Comparison has been made with the spectrum of ZnH. Lines due to the three isotopic molecules ⁶⁴ZnD, ⁶⁶ZnD and ⁶⁸ZnD have been resolved in a number of bands, and this isotopic splitting has also been briefly discussed. | en_US |
| dc.format.extent | 171 pages | |
| dc.identifier.uri | https://hdl.handle.net/1828/19870 | |
| dc.rights | Available to the World Wide Web | en_US |
| dc.title | A²π - X ²Σ⁺ electronic spectrum of ZnD | en_US |
| dc.type | Thesis | en_US |
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