Weak σ‐Hole Triel Bond between C 5 H 5 Tr (Tr=B, Al, Ga) and Haloethyne: Substituent and Cooperativity Effects | Zendy

Yang Qingqing | Zendy; Zhou Bohua | Zendy; Li Qingzhong | Zendy; Scheiner Steve | Zendy

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Weak σ‐Hole Triel Bond between C 5 H 5 Tr (Tr=B, Al, Ga) and Haloethyne: Substituent and Cooperativity Effects

Author(s) -

Yang Qingqing,

Zhou Bohua,

Li Qingzhong,

Scheiner Steve

Publication year - 2021

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.202000955

Subject(s) - chemistry , substituent , ring (chemistry) , nucleophile , lone pair , cooperativity , crystallography , halogen , atom (system on chip) , benzene , binding energy , stereochemistry , molecule , catalysis , atomic physics , organic chemistry , biochemistry , alkyl , computer science , embedded system , physics

The replacement of a CH group of benzene by a triel (Tr) atom places a positive region of electrostatic potential near the Tr atom in the plane of the aromatic ring. This σ‐hole can interact with an X lone pair of XCCH (X=F, Cl, Br, and I) to form a triel bond (TrB). The interaction energy between C 5 H 5 Tr and FCCH lies in the range between 2.2 and 4.4 kcal/mol, in the order Tr=B

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