Normal Coordinate Treatment of Dimethyldiacetylene
- 1 March 1955
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 23 (3) , 579-582
- https://doi.org/10.1063/1.1742032
Abstract
A normal coordinate treatment for dimethyldiacetylene is carried out, using Wilson's FG‐matrix method in conjunction with the ``splitting out'' technique. All the potential constants have been transferred from similar molecules and the agreement between calculated and observed frequencies is good, the largest deviation being 2.3 percent. The observed fundamentals are a1—2914, 2264, 1381, 1228, and 554 K; ā2—2947, 2163, 1379, and 941 K; e—2947, 1458, 1030, 353, and 104 (calculated) K; and ē—2953, 1426, 1022, 475, and 247 K.Keywords
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