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Complexes of Formaldehyde and α-Dicarbonyls with Hydroxylamine: FTIR Matrix Isolation and Theoretical Study

机译:甲醛和α-二羰基与羟胺的复合物:FTIR基质隔离和理论研究

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摘要

The interactions of formaldehyde (FA), glyoxal (Gly) and methylglyoxal (MGly) with hydroxylamine (HA) isolated in solid argon and nitrogen were studied using FTIR spectroscopy and ab initio methods. The spectra analysis indicates the formation of two types of hydrogen-bonded complexes between carbonyl and hydroxylamine in the studied matrices. The cyclic planar complexes are stabilized by O–H⋯O(C), and C–H⋯N interactions and the nonplanar complexes are stabilized by O–H⋯O(C) bond. Formaldehyde was found to form with hydroxylamine, the cyclic planar complex and methylglyoxal, the nonplanar one in both argon and nitrogen matrices. In turn, glyoxal forms with hydroxylamine the most stable nonplanar complex in solid argon, whereas in solid nitrogen, both types of the complex are formed.
机译:使用FTIR光谱学和AB初始方法研究甲醛(FA),乙二醇醛(GLY)和甲基甘油(MgLy)与羟胺(HA)分离的羟胺(HA)的相互作用。光谱分析表明,在研究的基质中形成了两种类型的羰基和羟胺之间的氢键复合物。通过O-H = O(c)稳定环状平面复合物,通过O-H = O(c)键稳定C-H = N相互作用和非平面复合物。发现甲醛与羟胺,环状平面复合物和甲基乙二醛,在氩气和氮基质中的非平面α形成。反过来,用羟胺形成羟胺,在固体中最稳定的非平面络合物,而在固体氮中,形成两种类型的复合物。

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