Our new publication in J. Chem. Phys. identifies the weak pyrazole:CO₂ complex using rotational spectroscopy and theoretical calculations, including #topology and #MachineLearning:
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
@aip-publishing.bsky.social
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
@aip-publishing.bsky.social
January 26, 2026 at 2:59 PM
Our new publication in J. Chem. Phys. identifies the weak pyrazole:CO₂ complex using rotational spectroscopy and theoretical calculations, including #topology and #MachineLearning:
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
@aip-publishing.bsky.social
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
@aip-publishing.bsky.social
A greenhouse gas molecule such as CO₂ is small and elusive... few CO₂ complexes with heterocycles are known experimentally!
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
Rotational spectrum and theoretical calculations of pyrazole⋯CO2 complex: Tetrel and hydrogen bond interactions
The complex between pyrazole and carbon dioxide has been generated in a supersonic jet and characterized using Fourier transform microwave spectroscopy and stat
pubs.aip.org
January 26, 2026 at 2:56 PM
A greenhouse gas molecule such as CO₂ is small and elusive... few CO₂ complexes with heterocycles are known experimentally!
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond
pubs.aip.org/aip/jcp/arti...
#weakinteractions #NCI #tetrelbond #hydrogenbond