Manabu Uegaito
Wakayama University
Hydrogen bondOrder (group theory)Natural bond orbitalChemistryConformational isomerismAtomic orbitalNaphthaleneAcceptorCrystalCrystallography
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#1Satoko Hayashi (Wakayama University)H-Index: 24
#2Manabu Uegaito (Wakayama University)H-Index: 1
Last. Mao Minoura (Rikkyo University)H-Index: 15
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The intrinsic dynamic and static natures of the E⋯E′ interactions at the 1,8-positions of 1-(MeE)–8-(MeE′)C10H6 [1a–1f (E ≠ E′) and 1g–1j (E = E′)] were elucidated with QTAIM-DFA, after structural determination of 1-(PhE)–8-(PhE′)C10H6 (3a–3f), where (E, E′: x) = (O, S: a), (O, Se: b), (O, Te: c), (S, Se: d), (S, Te: e), (Se, Te: f), (O, O: g), (S, S: h), (Se, Se: i) and (Te, Te: j) (χE ≥ χE′). While the AB structures are confirmed for 3a, 3b and 3d–3f, which consist of the np(E)⋯σ*(E′–CPh) inte...
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