Comment on: The torsional potential function of dimethylaminobenzonitrile and related compounds in their S1 states
Comment on: The torsional potential function of dimethylaminobenzonitrile and related compounds in their S1 states
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评论：二甲氨基苯甲腈及相关化合物在 S1 状态下的扭转势函数
DOI：
10.1063/1.458924
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发表时间：
1990
期刊：
影响因子：
--
通讯作者：
R. Gordon
中科院分区：
文献类型：
--
作者：
R. Gordon
从已发表的光谱中推导出V2 = 3700和V4 = 1450 cm-1的S1环-N（CH 3）2扭转势函数[Grassian等人，J. Chem.Phys.90，3994（1989）]的4-N，N-二甲基氨基苯甲腈。平衡构象扭曲25°，在平面和垂直构象处有185和3900 cm−1的势垒。对于（CD 3）2衍生物，以及对于N，N-二甲基苯胺、3-N，N-二甲基氨基苯甲腈和4-（三氟甲基）-N，N-二甲基苯胺，获得了类似的结果。
An S1 ring‐N(CH3)2 torsional potential function with V2≂3700 and V4≂−1450 cm−1 is deduced from the published spectrum [Grassian et al., J. Chem. Phys. 90, 3994 (1989)] of 4‐N,N‐dimethylaminobenzonitrile. The equilibrium conformation is twisted by 25°, and there are barriers of 185 and 3900 cm−1 at the planar and perpendicular conformations. Similar results are obtained for the (CD3)2 derivative, and for N,N‐dimethylaniline, 3‐N,N‐dimethylaminobenzonitrile, and 4‐(trifluoromethyl)‐N,N‐dimethylaniline.