Rotational energy barriers of the N-N bond in N-nitroso compounds by MNDO calculation and their related carcinogenicities - 文章详情页

作者：

Dai, Q. (Dai, Q..) | Fu, X. (Fu, X..)

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Scopus

摘要：

The　rotational　energy　barriers　of　some　symmetrical　N-nitroso　compounds　(NNGs)　(N-nitrosodimethylamine,　N-nitrosodiethylamine,　N-nitrosodiphenylamine　and　N-nitrosocarbazole)　were　calculated　using　the　MNDO　method.　The　calculated　values　are　consistent　with　the　experimental　values.　In　addition,　predictive　calculations　of　the　rotational　energy　barriers　of　some　asymmetric　NNCs　(TV-nitrosomethyl-2-oxopropylamine　and　N-nitrosoethylmethylamine)　for　which　no　experimental　values　are　available　were　carried　out　using　the　MNDO　method.　The　significance　of　the　rotational　barriers　in　carcinogenesis　is　discussed.　©　1993.

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作者机构：

[ 1 ] [Dai, Q.]Centre for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, Beijing, 100022, China
[ 2 ] [Fu, X.]Centre for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, Beijing, 100022, China

通讯作者信息：

[Dai, Q.]Centre for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, Beijing, 100022, China

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