ScienceAsia 22 (1996): 333-342 |doi: 10.2306/scienceasia1513-1874.1996.22.333

EXPERIMENTAL AND THEORETICAL STUDIES OF VIBRATIONAL FREQUENCIES OF TRANS-CINNAMALDEHYDE

ORAWAN SIRICHOT^a, KANIDTHA HANSONGNERN^a,* YUTTHAKORN YAOCHUANG^a AND CHATCHAI JANTARAPRIM^b

ABSTRACT: vibrational frequencies of trans-cinnamaldehyde in liquid phase were measured by using FT-IR spectroscopy. Five semiempirical calculations were used to assign the bands. When comparing the calculated frequencies, the heat of formation and the dipole moment of trans-cinnamaldehyde with the experimental results, it is concluded that PM3 provides the best fit between experimenral and theoretical vibrational frequencies.

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a Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat- Yai, Songkla 90112, Thailand.
b Department of Computer Engineering Faculty of Engineering Prince of Songkla University, Hat- Yai, Songkla 90112, Thailand.

Received September 16, 1996