吡啶B_1(nπ~* )态(2+3)偏振共振多光子电离谱中6a_0~1带型模拟及转动常量确定  

THE SIMULATION OF 6 a 1 0 BAND AND THE DETERMINATION OF ROTAIONAL CONSTANTS IN THE (2+3)PRMPI SPECTRA OF B 1(n π *) STATE IN PYRIDINE

作　　者：赵青春[1,2] 林美荣[1,2] 张包铮[1,2] 李云静 陈文驹[1,2] 

机构地区：[1]南开大学现代光学研究所 [2]南开大学光学信息技术科学开放研究实验室

出　　处：《物理学报》1999年第2期235-241,共7页Acta Physica Sinica

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.

关 键 词：吡啶 偏振共振 分子 多光子电离谱 转动常量 

分 类 号：O561.3[理学—原子与分子物理]