(a) Is CO2 linear or bent?
(b) What hybridization is appropriate for the C atom?
(c) Outline a bonding scheme for CO2 using the hybridization scheme you have suggested,
(d) What C—O bond order does your scheme imply?
(e) Draw a Lewis structure for CO2. Is this structure consistent with the results you obtained in parts (c) and (d)?
Table Results of a self-consistent Held quantum chemical calculation for H?0 using an orbital basis set of the atomic orbitals of the O atom and the ligand group orbitals of an H—H fragment. The axis set is defined in Fig. 5.15.
Atomic orbital or ligand group orbital O 2s O 2px | Percentage character of MOs with the sign of the eigenvector given in parentheses | |||||
| •ψ1 | ψ2 | Ψ3 | ψ4 | ψ5 | ψ6 |
O 2Ps | 71 (+) | 0 | 7(-) | 0 | 0 | 22 (-) |
O 2px | 0 | 0 | 0 | 100(+) | 0 | 0 |
O 2py | 0 | 59 (+) | 0 | 0 | 41 (-) | 0 |
O 2pz | 0 | 0 | 85 (—) | 0 | 0 | 15(+) |
H—H LGO(I) | 29 (+) | 0 | 8(+) | 0 | 0 | 63 (+) |
H—H LGO(2) | 0 | 41 (-) | 0 | 0 | 59 (-) | 0 |
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