The high-resolution infrared bands centered at 769 and 1043 cm-1 for 1,2,4-triazine C3H3N3 have been analyzed, using the full asymmetric rotor Hamilton of Watson in A-reduced form using IIIr-representation. All the ground state rotation constants and three of the quartic centrifugal distortion constants could be determined with high precision from a simultaneous analysis of the two bands. The standard deviation of fit was 0.00077 cm-1. The upper state constants for the two bands have been determined with similar precision. The ground state rotational constants obtained from the present analysis are very similar to those predicted from the ab initio study of the equilibrium structure. This strongly suggests that the similarity in several of the ring bond lengths, predicted in the latter, is indeed real. Copyright 1998 Academic Press.

中文翻译：

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1,2,4-三嗪蒸气的结构和高分辨率红外光谱

1,2,4-三嗪 C3H3N3 的高分辨率红外波段以 769 和 1043 cm-1 为中心，使用 IIIr 表示的 A 还原形式的 Watson 全不对称转子 Hamilton 进行了分析。所有基态旋转常数和三个四次离心畸变常数都可以通过同时分析两个波段来高精度确定。拟合的标准偏差为 0.00077 cm-1。已以相似的精度确定了两个带的上状态常数。从本分析获得的基态旋转常数与从平衡结构的从头算研究预测的非常相似。这强烈表明后者预测的几个环键长的相似性确实是真实的。版权所有 1998 学术出版社。