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Vibrational Analysis of Some Substituted Methylbenzenes Part II. Transferability of Force Constants-The Case of Tetra‐, Tri‐methylbenzenes and Nitro‐para‐toluidine

机译:一些取代的甲基苯并二极管的振动分析。力常数的可转移性 - 四,三 - 甲基苯和硝基 - 甲苯胺的情况

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A zero‐order normal coordinate analysis was made for 1,2,3,4‐, 1,2,3,5‐, 1,2,4,5‐tetramethylbenzene, 1,2,3‐trimethylbenzene and 2‐nitro‐para‐toluidine by transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average error of 16.4 cm‐1. On the basis of the results obtained Unambiguous vibrational assignments of fundamentals of the five molecules have been made using the potential energy distributions and eigen vectors and several assignments suggested by earlier workers have been revised.
机译:为1,2,3,4-,1,2,3,5-,1,2,5-四甲基苯,1,2,3-三甲基苯和2-硝基制备零级正常坐标分析通过从早期的工作中转移力常数来托妥托金。观察和计算的频率同意,平均误差为16.4 cm-1。在结果的基础上,已经使用潜在的能源分配和特征向量进行了五分子基本原理的明确振动分配,并根据早期工人提出的一些作业进行了修订。

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