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Diazophosphane HPN2
Journal of the American Chemical Society ( IF 15.0 ) Pub Date : 2022-11-29 , DOI: 10.1021/jacs.2c10003
Bo Lu 1 , Xin Shao 1 , Xin Jiang 1 , Lina Wang 1 , Junfei Xue 1 , Guntram Rauhut 2 , Gengwen Tan 3 , Wei Fang 1 , Xiaoqing Zeng 1
Affiliation  

Diazophosphane HPN2, a heavy analogue of hydrazoic acid (HN3), has been synthesized at low temperature (10 K) through photolytic reactions of molecular nitrogen (N2) with phosphine (PH3) and phosphaketene (HPCO) under irradiations at 193 and 365 nm, respectively. The characterization of HPN2 and its isotopologues DPN2 and HP15N2 by matrix-isolation IR and UV–vis spectroscopy is supported by quantum chemical calculations at the CCSD(T)-F12a/cc-pVTZ-F12 level of theory. Upon irradiation at 266 nm, the P–N bond in HPN2 breaks, whereas its photolysis at 193 nm generates the elusive phosphinyl radical PN2.

中文翻译:

重氮磷HPN2

重氮磷烷 HPN 2是叠氮酸 (HN 3 ) 的重类似物,通过分子氮 (N 2 ) 与磷化氢 (PH 3 ) 和磷烯酮 (HPCO) 在 193和 365 纳米,分别。CCSD(T)-F12a/cc-pVTZ-F12 理论水平的量子化学计算支持通过基质隔离红外和紫外-可见光谱对 HPN 2及其同位素异数体 DPN 2和 HP 15 N 2的表征。在 266 nm 的照射下,HPN 2中的 P-N 键断裂,而其在 193 nm 的光解产生难以捉摸的膦酰基公告2
更新日期:2022-11-29
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