Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates

Lev E. Zelenkov, Daniil M. Ivanov, Evgeniy K. Sadykov, Nadezhda A. Bokach, Bartomeu Galmés, Antonio Frontera, Vadim Yu Kukushkin

Результат исследований: Научные публикации в периодических изданияхстатьярецензирование

10 Цитирования (Scopus)

Аннотация

The complex [Ni(S2COEt)2] (1) and 1,4-diiodotertafluorobenzene (1,4-FIB) or 1,3,5-triiodotrifluorobenzene (1,3,5-FIB) were cocrystallized to form solid adducts 1·2(1,4-FIB) and 1·2(1,3,5-FIB), respectively; the structures of the adducts were studied by X-ray crystallography. The introduction of any one of the FIBs dramatically changed the supramolecular architecture of 1, and the structure-directing interactions changed from predominantly Ni···S semicoordination (in 1) to I···S halogen bonding between an FIB and the electron-donating S atoms of 1 (in the adducts). The semicoordination bond breaking and halogen bond making upon the interaction of 1 with the FIBs make the employed crystal engineering approach relevant (or even similar) to the molecular synthesis of metal species. The DFT study indicates that the strength of both types of interactions in the adducts are comparable (-3.0 to -4.9 kcal/mol and -4.3 to -4.9 kcal/mol) but very different in regard to their physical nature. If the electrostatics determine the I···S halogen bonds, the Ni···S semicoordination bonding is basically dominated by orbital effects.

Язык оригиналаанглийский
Страницы (с-по)6956-6965
Число страниц10
ЖурналCrystal Growth and Design
Том20
Номер выпуска10
DOI
СостояниеОпубликовано - 7 окт 2020

Предметные области Scopus

  • Химия (все)
  • Материаловедение (все)
  • Физика конденсатов

Fingerprint Подробные сведения о темах исследования «Semicoordination Bond Breaking and Halogen Bond Making Change the Supramolecular Architecture of Metal-Containing Aggregates». Вместе они формируют уникальный семантический отпечаток (fingerprint).

Цитировать