Formaldehyde Fukui functions

Calculated Fukui Function for Formaldehyde in Gas and Solvent (Water) Phases at HF/6-31G Level Using Mulliken Population Analysis... 

Continuum model has been applied for the first time to predict the Fukui functions of formaldehyde, methanol, acetone, and formamide in water medium [54], The results reveal that the potential for electrophilic and nucleophilic attack increases when passing from the gas phase to an aqueous medium. The calculated Fukui functions for formaldehyde at Hartree-Fock (HF) level of theory are presented in Table 26.2. 

Fuentealba et al. studied whether these functions (actually, they are numbers and not functions) were good deseriptors of chemical reactivities. First they considered some smaller test systems for whieh they compared the regional Fukui functions with atomic populations that also have been used in analysing chemieal reactivity. Among those systems was formaldehyde, OCH2, and Table 5 contains a... 

Table 5 Regional Fukui functions for nucleophilic (+) and electrophilic (—) attacks for formaldehyde. The results are from ref 58 and are based on density-functional calculations...

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