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通过模拟吡啶B1(nπ*)态(2+3)偏振共振多光子电离谱中转动结构可部分分辨的6a10带型，获得了该态上吡啶分子的转动常量，分别为A′=0.21670cm-1，B′=0.16758cm-1，C′=0.09450cm-1.表明氮原子上的一个孤对电子跃迁进入π*轨道后氮原子自身电负性减弱，吡啶分子构架总体上张开.此外，比较6aThrough simulating the 6a10 band with a partly resolvable rovibronic contour in the (2+3)PRMPI spectra of B1(nπ*) state in pyridine, the rotational constants in B1(nπ*) state are obtained as follows: A′=0.21670cm-1, B′=0.16758cm-1, C′=0.09450cm-1, showing that the negative electricity of N itself becomes weak after one of its lone-pair electrons transits to π* orbital, and the molecular frame expands in general. Moreover, comparing the experimentally measured band with the theoretical curve of 6a10, two vibronic bands, 17a106a101210 and 11b10, which are drowned under the high intensity of 6a10 and have never been reported before, are found.
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物理学报. 1999, 48(2): 235-241.
doi: 10.7498/aps.48.235.
吡啶B1(nπ*)态(2+3)偏振共振多光子电离谱中6a10带型模拟及转动常量确定
- 收稿日期: 1998-05-11
- 刊出日期: 1999-01-05
摘要: 通过模拟吡啶B1(nπ*)态(2+3)偏振共振多光子电离谱中转动结构可部分分辨的6a10带型，获得了该态上吡啶分子的转动常量，分别为A′=0.21670cm-1，B′=0.16758cm-1，C′=0.09450cm-1.表明氮原子上的一个孤对电子跃迁进入π*轨道后氮原子自身电负性减弱，吡啶分子构架总体上张开.此外，比较6a
English Abstract
THE SIMULATION OF 6a10 BAND AND THE DETERMINATION OF ROTAIONAL CONSTANTS IN THE (2+3)PRMPI SPECTRA OF B1(nπ*) STATE IN PYRIDINE
- Received Date:
11 May 1998
- Published Online:
05 January 1999
Abstract: Through simulating the 6a10 band with a partly resolvable rovibronic contour in the (2+3)PRMPI spectra of B1(nπ*) state in pyridine, the rotational constants in B1(nπ*) state are obtained as follows: A′=0.21670cm-1, B′=0.16758cm-1, C′=0.09450cm-1, showing that the negative electricity of N itself becomes weak after one of its lone-pair electrons transits to π* orbital, and the molecular frame expands in general. Moreover, comparing the experimentally measured band with the theoretical curve of 6a10, two vibronic bands, 17a106a101210 and 11b10, which are drowned under the high intensity of 6a10 and have never been reported before, are found.
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