PS8_MOsfor_CO_DeKockGray

PS8_MOsfor_CO_DeKockGray - C orbitals CO orbitals O...

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Unformatted text preview: C orbitals CO orbitals O orbitals lncreasmg enel gy———>- ‘N x‘ \i ,4 / Figure 4—40 Relative orbital energies in carbon monoxide. Notice that the atomic orbitals belonging to the O atom are more stable than those belonging to the C atom. To simplify the diagram, not all correlation lines have been drawn. Each of the 10', 20, 3a, and 40- molecular orbitals can contain atomic—orbital contributions from Sir! zit: Sin and Zh- Carbon Monoxide In carbon monoxide, both atoms of the heteronuclear diatomic molecule have s and p orbitals. Figure 4—40 illustrates the molecular—orbital energy level diagram. For carbon monoxide, with ten valence electrons, the pre— dicted electronic configuration is (10‘)2(20')2(17T)4(3U)2. The s and p orbitals of O are placed lower than the s and p orbitals of C, in agreement with the VOIEs (Table 4-4). The 0' and tr bonding and anti- bonding orbitals for a heteronuclear molecule such as carbon monoxide are formed in the same manner as for a homonuclear molecule. However, just as we discussed for HF, the orbital coefficients of the valence orbitals for the more electronegative atom will be larger in the more stable molecular orbitals. The less electronegative atom will have larger coefficients for its orbitals in the less stable molecular orbitals. For CO, this means that the electrons in the more stable orbitals have a larger electron density near the more electronegative atom, O. In the higher-energy antibonding orbitals the electrons have a larger electron density near the less electronegative atom, C. Spatial representations of the molecular orbitals for C0 are given in Figure 441. ___.._.__.'_..._.__,.__Q Z (1 OWZ 10' 2” 0 0 0 0 I l ' 'l I ' ' i I ' I ' I ' 1 ' | l I I I l — a I + I a i + O 5 C I O ‘ g u | 'I l l I i I I ' ' I I I i I ' i 3‘7 4U k: 9.: R s: ('1 17‘- . __ .. 27‘— Figure 4-41 Spatial representation of molecular orbitals for the CO molecule. Dashed lines designated “0” represent nodal planes of zero electron density. ...
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This note was uploaded on 02/19/2010 for the course CHEM 120A taught by Professor Whaley during the Spring '07 term at Berkeley.

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PS8_MOsfor_CO_DeKockGray - C orbitals CO orbitals O...

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