Ontology highlight
ABSTRACT:
SUBMITTER: Huang Z
PROVIDER: S-EPMC5579194 | biostudies-literature | 2017 Aug
REPOSITORIES: biostudies-literature
Huang Zhengguo Z Li Yuying Y Wang Xiaohong X
Scientific reports 20170831 1
Although HNgCCX (Ng = Kr and Xe; X = F and Cl) have been identified in cryogenic matrices, similar Br and I analogues have not been prepared so far. In this paper, the nature of HNgCCX (Ng = Kr and Xe; X = F, Cl, Br and I) have been investigated by ab initio methods. The main characteristic absorption peak of HNgCCX is the v <sub>H-Ng</sub>, which decreases as X varies from F to I. Moreover, the H-Xe bond is stronger than the H-Kr bond. The v <sub>C≡C</sub> and v <sub>C-X</sub> exhibit red- and ...[more]