Infrared spectra of NH2NO, NH2NO+, and NNOH+ and of the N2...H2O complex trapped in solid neon.
Infrared spectra of NH2NO, NH2NO+, and NNOH+ and of the N2...H2O complex trapped in solid neon.
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NH2NO、NH2NO 和 NNOH 以及捕获在固体氖中的 N2...H2O 复合物的红外光谱。
DOI：
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发表时间：
2005
影响因子：
4.4
通讯作者：
W. E. Thompson
中科院分区：
文献类型：
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作者：
M. Jacox;W. E. Thompson
当 Ne:H2:N2O 混合物与在微波放电中激发的氖原子束在 4.3 K 下共沉积时，NH2NO+ 会稳定在足够的浓度，以检测其五个振动基本原理。他们的任务得到了同位素替代研究和无限制 B3LYP/cc-pVTZ 计算结果的支持。电子重组导致 NH2NO 稳定，之前报道的氩-基质分配得到确认和扩展。 NNOH+ 的 OH 伸缩基本原理也存在于初始样品沉积物的光谱中，但由于与氖基体共享质子，因此从气相带中心偏移了 43.3 cm(-1)。本研究首次确定了 NNOD+ 的 OD 拉伸基础。 2311.1 cm(-1) 处的吸收是由 N2 络合物（可能与离子物质）的 NN 伸缩振动贡献的。在沉积物的长时间可见光和近紫外线照射下，二元 N2...H2O 复合物的吸收变得越来越突出。
When a Ne:H2:N2O mixture is co-deposited at 4.3 K with a beam of neon atoms that have been excited in a microwave discharge, NH2NO+ is stabilized in sufficient concentration for detection of five of its vibrational fundamentals. Their assignments are supported by isotopic substitution studies and by the results of unrestricted B3LYP/cc-pVTZ calculations. Electron recombination results in the stabilization of NH2NO, for which the previously reported argon-matrix assignments are confirmed and extended. The OH-stretching fundamental of NNOH+ also is present in the spectrum of the initial sample deposit, but because of proton sharing with the neon matrix is shifted 43.3 cm(-1) from the gas-phase band center. The OD-stretching fundamental of NNOD+ is identified for the first time in the present study. An absorption at 2311.1 cm(-1) is contributed by the NN-stretching vibration of a complex of N2, probably with an ionic species. On prolonged visible and near-ultraviolet irradiation of the deposit, absorptions of the binary N2...H2O complex become increasingly prominent.