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′＝０２１６７０ｃｍ－１，Ｂ′＝０１６７５８ｃｍ－１，Ｃ′＝００９４５０ｃｍ－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６ａ１０实测谱带与理论曲线。
Abstract Through simulating the 6a 1 0 band with a partly resolvable rovibronic contour in the (2+3)PRMPI spectra of B 1(n π *) state in pyridine, the rotational constants in B 1(n π *) 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 6a 1 0 , two vibronic bands, 17a 1 06a 1 012 1 0 and 11b 1 0 , which are drowned under the high intensity of 6a 1 0 and have never been reported before, are found.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1999年第2期235-241,共7页
Acta Physica Sinica
