Weak Interactions in Interstellar Chemistry: How Do
Open Shell Molecules Interact with Closed Shell Molecules?
K. Gopalsamy
Sorakayala Thripati
Raghunath O. Ramabhadran
10.1021/acsearthspacechem.8b00208.s001
https://acs.figshare.com/articles/journal_contribution/Weak_Interactions_in_Interstellar_Chemistry_How_Do_Open_Shell_Molecules_Interact_with_Closed_Shell_Molecules_/8089061
The
interstellar medium (ISM) is home to several open shell and
closed shell molecules considered to be unusual or highly unstable
on Earth. The chemistry of these molecules in the ISM has been widely
studied over many decades. However, the concept of weak chemical interactions,
which is terrestrially well-studied, has not been highlighted much
in interstellar chemistry. In this study, we illustrate the wide variety
of possible weak interactions in the ISM occurring between a carefully
chosen set of open shell (OH, SH, CN, NO, NH<sub>2</sub>, and HO<sub>2</sub>) and closed shell (H<sub>2</sub>O, H<sub>2</sub>S, HF, HCl,
NH<sub>3</sub>, PH<sub>3</sub>,HCN, HNC, HCP, CH<sub>3</sub>OH, and
CH<sub>3</sub>SH) molecules, which are important in interstellar chemistry.
We expound upon the structural and energetic features of the weak
interactions by employing electronic structure calculations [CCSDÂ(T)
and density functional theory]. The nature of the weak interactions
is further probed by three different techniques, viz., the atoms-in-molecules
(AIM) method, the transfer of spin densities, and the natural bond
orbital (NBO) method. The astrochemical implications of the weak interactions
are subsequently discussed, and it is suggested that the weak interactions
could impact the molecular abundances in the ISM.
2019-04-24 00:00:00
CH 3 OH
HNC
HCP
AIM
ISM
HO 2
HF
shell molecules
HCN
PH 3
NBO
chemical interactions
H 2 O
Weak Interactions
CH 3 SH
CN
structure calculations
H 2 S
NH 3
NH 2
Shell Molecules
CCSD
Open Shell Molecules Interact
Interstellar Chemistry
astrochemical implications