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Non-covalent halogen-bonding interactions between π cloud of acetylene (C2H2) and chlorine atom of carbon tetrachloride (CCl4) have been investigated using matrix isolation infrared spectroscopy and quantum chemical computations. The structure and the energies of the 1:1 C2H2–CCl4 adducts were computed at the B3LYP, MP2 and M05-2X levels of theory using 6–311++G(d,p) basis set. The computations indicated...
Hydrogen-bonded complexes of C 2 H 2 and CHF 3 have been investigated using matrix isolation infrared spectroscopy and ab initio computations. The complexes were trapped in both solid argon and nitrogen matrices at 12K. The structure of the complexes and the energies were computed at the B3LYP and MP2 levels of theory using a 6-311++G(d,p) basis set and at the MP2/aug-cc-pvdz...
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