
European Journal of Organic Chemistry, Год журнала: 2024, Номер 27(23)
Опубликована: Март 25, 2024
Abstract Here we report our investigation of 1‐bromo‐3,5,7‐triphenyladamantane ( 1 ) and the elucidation polymorphic crystals A B using single crystal X‐ray diffraction. In monoclinic system P 2 / n ), observed CH–π interactions, while Br⋅⋅⋅Br interactions are absent. Conversely, an apparent factor in formation R ). We compare findings with 1,3,5,7‐tetraphenyladamantane characterized by numerous solid. Computational analyses were employed to investigate within characteristic dimers present unit cells , including visualization noncovalent use atoms‐in‐molecules approach as well MO analyses. These support notion London dispersion (LD) dimer‐dimer between phenyl moieties, whereas exhibits additional contacts. contrast, exclusively held together stacking LD a feature absent polymorphs . Both forms emit white light when subjected 900 nm continuous wave laser irradiation, displaying subtle blue shift compared The absence causes small red‐shift emission spectrum.
Язык: Английский