Abstract
The present chapter illustrates our pursuits to correlate the structure and the reactivity of some aliphatic and aromatic compounds making use of quantum-mechanic calculations, while emphasizing the peculiar properties of bondonic influence in driving the chemical bonding in various realizations and respecting various chemical variables. The studied compounds, aromatic amines and their derivates and also hydroxiarens, have been chosen to reveal their usage in diazotization and coupling reactions in order to obtain azoic colorants. For didactic purposes, the results obtained by both Hückel (MO-molecular orbitals) and DFT(density functional theory) models have been correlated considering some aspects of bondonic chemistry. From the bondonic side, the quantum computational information, always relating regarding the bonding energy is projected on the length radii or action, bondonic mass and gravitational effects, all without eigen-equations in “classical” quantum mechanics, although being of observable nature, here discussed and compared for their realization and predictions.
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Acknowledgement
MVP thanks Romanian Ministry of Education and Research for supporting the present work through the CNCS-UEFISCDI project <Quantification of The Chemical Bond Within Orthogonal Spaces of Reactivity. Applications on Molecules of Bio-, Eco- and Pharmaco- Logical Interest>, Code PN-II-RU-TE-16/2010-2013.
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Putz, M., Pitulice, L., Dascălu, D., Isac, D. (2015). Bondonic Chemistry: Non-classical Implications on Classical Carbon Systems. In: Putz, M., Ori, O. (eds) Exotic Properties of Carbon Nanomatter. Carbon Materials: Chemistry and Physics, vol 8. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-9567-8_11
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