Quantum Chemical Study of the Hydrogen-bonded
C4H2![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/char_e002.gif)
HCl Complexes†
Abstract
Ab initio molecular orbital calculations
at the MP2 full level and density functional calculations using
6-31
C
4
H
2
HCl system and it is observed
that formation of a weak complex is possible with a
πHCl type hydrogen bond between the
C
4
H
2
and HCl molecules.
HCl system and it is observed
that formation of a weak complex is possible with a
πHCl type hydrogen bond between the
C
4
H
2
and HCl molecules.
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![[triple bond, length as m-dash]](https://www.rsc.org/images/entities/h2_char_e002.gif)
HCl Complexes†