Formaldoxime is the organic compound with the formula H2C=N−OH. It is the oxime of formaldehyde. A colorless liquid, the pure compound tends to polymerize into a cyclic trimer. Aqueous solutions are stable as is the formaldoxime hydrochloride ([H2C=N (−H) (−OH)]+Cl−).

1987年2月1日 · The HOMO of CH2NOH lies at -10.9 eV and has a symmetry with an antibonding combination of the hydroxyl and imino n systems. The corresponding bonding 7r orbital is found at -16.3 eV. The charge distribution of CHZNOH, as expected, has the oxygen atom possessing the largest negative charge, although the hydroxyl group has a smaller charge than ...

甲醛肟（CH 2 NOH）属于可能的星际分子。 它的异构化、光谱特性以及泵浦激光作用的潜力长期以来一直受到广泛关注。 这里，已经建立了反式和顺式甲醛肟的光谱常数和非简谐力场的基准数据库。 使用耦合簇理论 [CCSD (T)] 和密度泛函理论（B3LYP 和 B2PLYP）以及不同的基组 [cc-pVTZ, aug-cc-pVTZ, 6-311+G**, 6 进行评估使用-311++G (3df,3pd)]。 计算出的光谱常数很好地再现了以前的实验结果。 此外，还提供了振动-旋转相互作用常数等一系列重要的非简谐参数， …

2021年2月1日 · The Fourier transform infrared (FTIR) spectrum of formaldoxime (CH 2 NOH) was recorded in the 700–3800 cm −1 region at the Australian Synchrotron with an unapodized resolution of 0.5 cm −1 to identify its fundamental and overtone bands and to measure their relative infrared (IR) intensities in this region.

2024年4月8日 · Formaldoxime (CH2NOH) belongs to the possible interstellar molecules. Its isomerization, spectroscopic properties as well as the potential for pumped laser action has long received...

1988年12月1日 · High-resolution (0.015 cm −1) Fourier transform and Doppler limited diode laser spectra have been obtained of the ν10 band of CH 2 NOH, and medium-resolution (0.05 cm −1) spectra of the ν8 and ν11 bands. The band origins determined for the three fundamentals are ν10, 952.60 8 cm −1; ν8, 892.5 6 cm −1; and ν11, 774.1 4 cm −1.

1988年12月1日 · 摘要 使用基特峰国家天文台太阳傅里叶变换光谱仪在气相中获得了分辨率为 0.01 cm -1 的最简单肟 CH 2 NOH 的红外光谱。 覆盖的区域从1800到3700 cm -1 ，大约7100 cm -1 。 对 ν 1 、ν 2 和 ν 3 能带进行了详细分析，并对 2 ν 1 能带进行了部分分析。 在 ν 1 、ν 2 和 ν 3 波段中，拟合了数百个跃迁并确定了准确的波段原点和旋转常数。 发现所有这些带都是混合带，ν 1 具有主要的 A 成分，而 ν 2 和 ν 3 具有主要的 B 成分，而不是如先前假设的主要是 A 型。

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2009年8月27日 · We have studied the structure and photochemistry of the formaldoxime−nitrous acid system (CH2NOH−HONO) by help of FTIR matrix isolation spectroscopy and ab initio methods. The MP2/6-311++G(2d,2p) calculations show stability of …

CH2NOH+ Formula: CH 3 NO + Molecular weight: 45.0401; CAS Registry Number: 73106-51-1; Information on this page: Notes; Other data available: Vibrational and/or electronic energy levels; Options: Switch to calorie-based units