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DATA: 26/04/2017 (quarta-feira)
LOCAL: Auditório do Departamento de Química – CFM
TÍTULO: No Need for a Re-examination of the Electrostatic Notation of the Hydrogen Bonding: A Comment
PALESTRANTE: Giovanni Finoto Caramori (DQ-UFSC)
RESUMO: It is a comment based on energy decomposition analysis of the bonding energy in hydrogen-bonded anion–anion. The electrostatic Coulombic energy between the two interacting anions complexes is calculated based on the electron density sistribution and not based on point charges. Our results provide an alternative view of the interactions between the anions F− and HCO3− in [F⋅⋅⋅HCO3]2− which is directly connected to the physical mechanism of the bond formation. The results also revealed that it is not necessary to change the nomenclature of hydrogen-bonded anion–anion systems, as claimed by the author of Natural bond orbital method, which is useless for elucidating the nature of chemical bonding because it affords only information about orbital interactions in a biased way. The call for re-examination of the electrostatic nature of hydrogen bonding is unwarranted.