Studies of Molecular Conformation of (E)-2-Methyl-1,3-pentadiene with Vibrational Spectra

Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (6): 957.

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Studies of Molecular Conformation of (E)-2-Methyl-1,3-pentadiene with Vibrational Spectra

ZHAO Bing¹, XU Wei-Qing¹, LIU Ju-Zheng²

1. Key Lab.for Molecular Spectra and Structure, Jilin University, 130023, changchun;
2. Dept. of Chem., Jilin University, 130023, changchun

Received:1995-06-22 Online:1996-06-24 Published:1996-06-24

Abstract

Abstract: Vibrational spectra of (E)-2-methyl-1,3-pentadiene have been recorded over a range of temperature for three phases, and completely assigned.The investigation of a pair bands 658 and 686 cm^-1 by dynamic FTIRspectra shows that the compound existed as a mixture of s-trans and s-cis conformers of single bonding rotation.By means of observed changes of the peak intensities of FTIRspectra with variable temperature, the values of ΔH⁰ and ΔS⁰ of the isomer inversion have been deduced to be 5.36 kJ/mol and 7.66 J/mol· Krespectively.

Key words: (E)-2-Methyl-1,3-pentadiene, Vibrational spectra, s-trans and s-cis conformers

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ZHAO Bing, XU Wei-Qing, LIU Ju-Zheng. Studies of Molecular Conformation of (E)-2-Methyl-1,3-pentadiene with Vibrational Spectra[J]. Chem. J. Chinese Universities, 1996, 17(6): 957.

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Studies of Molecular Conformation of (E)-2-Methyl-1,3-pentadiene with Vibrational Spectra

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