A computational stud y of interaction between Acetylene & hypohalous acids

Hypo halous acids (HOX) ha ve a great in fluence on the stratospheric ozone concentrati on [۱, ۲]. Tr aces of chlorine and bromine containing molecu les play im portant roles in many ar eas of atmospheric chemistry. The m ost notable one is polar depletion of ozone con centration [۱].In thi s study, cal culations carried out between HOX and Acety lene. Thus the present work reports a detailed examination of the stabilities, electronic structures and vibrational frequencies of these complexe s.

کلیدواژه ها:

Nonc ovalent interaction ، hypohalous aci ds ، Acetylene.