New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons
نویسندگان
چکیده
منابع مشابه
New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons.
MP2/aug-cc-pVTZ calculations were performed for complexes of BrF₃ and BrF₅ acting as Lewis acids through the bromine centre, with species playing a role of Lewis base: dihydrogen, acetylene, ethylene, and benzene. The molecular hydrogen donates electrons by its σ-bond, while in remaining moieties-in complexes of hydrocarbons; such an electron transfer follows from π-electrons. The complexes are...
متن کاملA New Type of Halogen–Halogen Bonds
The interactions between the two CX3 groups in perhalogenated ethanes, X3C–CX3 are studied, with X3C–CX3 = H3C–CH3, F3C–CF3, F3C–CCl3, and Cl3C–CCl3. Utilising the recently developed method for revealing non-covalent interactions in molecular systems by Johnson et al. [1], a previously overlooked non-covalent interaction between halogens attached to opposite carbon atoms is unearthed. Further i...
متن کاملTetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors.
The syntheses and halogen bonded (XB) complexes of tetrahalogenated ethynyl cavitands are presented. These cavitands act as quite rigid 3D multivalent halogen bond donors and show strong XB with oxygen, nitrogen and bromide XB acceptors.
متن کاملThe Halogen Bond
The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is n...
متن کاملType II halogen···halogen contacts are halogen bonds
Cl/Br/I alternative substitutions in a series of dihalophenols indicate that type I and type II halogen···halogen contacts have different chemical nature. Only the latter ones qualify as true halogen bonds, according to the recent IUPAC definition.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Molecules
سال: 2017
ISSN: 1420-3049
DOI: 10.3390/molecules22122150