WebJan 14, 2010 · The results are related to the degree of bond length alternation, the extent of electron delocalization, and (for the ions) the NPA charge distribution. The shielding increment data are compared to NICS(1) values computed at the same level; both indicate the degree of aromaticity or antiaromaticity of the component rings. WebAug 8, 2024 · The aromaticity in this cyclophane has been examined experimentally and theoretically. ... The GIMIC method is a reliable means to determine the degree of aromaticity in a quantitative manner when ...
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WebFeb 24, 2014 · The concept of spatial and electronic structure of cyclic molecular systems displaying the effects of cyclic electron @[email protected] which provide for their … WebMay 3, 2024 · DOI: 10.1039/D1CC00528F. Aromaticity, a concept usually used to explain the striking stability and unusual reactivity of certain carbon-based molecules, could inspire the design of new catalysts ... clinton county ohio swcd
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WebSep 4, 2024 · A quantitative assessment of the degree of aromaticity is given by the value of the resonance energy. It may also be evaluated by the energies of relevant isodesmic and homodesmotic reactions. Along with energetic criteria of aromaticity, important and complementary are also a structural criterion (the lesser the alternation of bond lengths in ... WebJan 1, 2015 · Degree of aromatic condensation. We assessed the degree of aromatic condensation by investigating functional groups and atomic bonds (NMR-cond index, … WebQuestion: Suggest several different thermochemical strategies to evaluate the aromaticity of naphthalene. Comment on any differences among the values you obtain, and also on the degree of aromaticity in naphthalene vs. that in benzene. Some potentially useful data are given below; other useful data maybe in the text or could be calculated by group … bobcat23