Carbonyls potential energy curve

Transition metal carbonyl is important in laser chemistry as sources of metal atoms or as precursors for chemical vapor deposition (CVD) [104]. Ni(CO)4 shows a typical photofragmentation reaction initiated by the XeCl laser (308 nm, 4.03 eV), and the knowledge on the mechanism is valuable for the design and control of the laser-induced CVD. The SAC-Cl method was applied to the excitation spectrum and the potential energy curves relevant to the photofragmentation reaction [105]. 

The o acetyl radical is also found by "ab-initio calculations 1.25 eV below the acetyl 7t radical. If we restrict the count of the electrons to the two carbonyl 7t electrons,the two oxygen lone-pair electrons, and the two electrons of the CC bond which is cleaved, the correlation diagram that schematically represents the calculated potential energy curves of Fig. 12 is easily obtained (Fig. 13). The important features of this diagram are the... 

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