An ab initio and matrix isolation infrared study of the 1:1 C2H2–CHCl3 adduct

Hydrogen-bonded complexes of acetylene and acetonitrile: A matrix isolation infrared and computational study

“…During the last fifteen years there has been an emphasis on the study of weak hydrogen bonds involving CAHÁ Á ÁO, CAHÁ Á Áp, OAHÁ Á Áp and CAHÁ Á ÁN interactions, as these serve as a driving force for many molecular phenomena and processes in chemistry, biology and material science [15]. Our interest in these weak hydrogen-bonded systems led early studies on hydrogen bonded complexes formed by CHF 3 , CHCl 3 , C 2 H 4 , C 6 H 6 and C 6 H 5 N with C 2 H 2 using matrix isolation infrared spectroscopy in an Ar matrix [16][17][18][19].…”

Theoretical study of noncovalent interactions between triple bonds and chlorine atoms in complexes of acetylene and some chloromethanes

“…The binding energy of the acetylene-CHCl 3 complex is about twice as that of the acetylene-CH 3 Cl complex and is comparable to that of the benzene-methane complex (1.03-1.13 kcal/mol) [48]. In addition, the binding energy of the acetylene-CHCl 3 complex with C-ClÁ Á Áp interaction is 69% of that of the acetylene-CHCl 3 complex involving an intermolecular C-HÁ Á Áp interaction (À1.52 kcal/mol calculated at MP2/6-311+G(d,p) level) [49]. The non-negligible binding energies ranging from À0.49 to À1.34 kcal/mol suggest Fig.…”

Hydrogen bonded complexes of acetylene and boric acid: A matrix isolation infrared and ab initio study

“…In our laboratory we have studied, using matrix isolation infrared and computational methods, hydrogen bonded interactions involving acetylene [12][13][14][15]. Recently, we have reported our results on C 2 H 2 -C 6 H 5 OH system where we have observed both the OAHÁ Á Áp and CAHÁ Á ÁO hydrogen bonded complexes [16].…”