The infrared spectrum of acetylene–HF in helium nanodroplets

✍ Scribed by G.E. Douberly; K. Nauta; R.E. Miller

• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 258 KB
• Volume: 377
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/s0009-2614(03)01045-5

✦ Synopsis

Rotationally resolved infrared spectra are reported for the T-shaped acetylene-HF complex in helium nanodroplets, corresponding to excitation of both the H-F and asymmetric C-H stretches. In comparison to the isolated complex, rotation about the A-axis is relatively unhindered by the helium, while overall rotation is slower by a factor of approximately two. An ab initio potential surface is also reported for this system. Although the bent complex, with acetylene acting as a hydrogen donor, is determined to be a local minimum, only the T-shaped isomer is experimentally observed, indicating that the barrier is too small to prevent the metastable bent structure from rearranging to the global minimum.