Vibrational analysis of 4,4-dimethyl-2-pentyne

✍ Scribed by G.O. Carlisle; G.A. Crowder

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 739 KB
• Volume: 1
• Category: Article
• ISSN: 0924-2031
• DOI: 10.1016/0924-2031(91)80009-d

✦ Synopsis

AbSttaCt

Infrared and Raman spectra were obtained for 4,4-dimethyl-2-pentyne. Vibrational assignments were made with the aid of normal coordinate calculations that utilized a 20-parameter modified valence force field, with the values of the force constants being transferred from 4methyl-2-pentyne. Molecular mechanics calculations were also made in order to calculate the molecular geometry and heat of formation.