Low-lying states of HfS+ and the ionization energy of HfS

被引：7

作者：

Barker, Beau J. ^{[1
]}

Antonov, Ivan O. ^{[1
]}

Heaven, Michael C. ^{[1
]}

机构：

[1] Emory Univ, Dept Chem, Atlanta, GA 30332 USA

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2012年 / 275卷

关键词：

Hafnium sulfide; Photoelectron spectroscopy; Ionization energy; Electronic structure calculations; SPECTROSCOPY; SPECTRUM; TRANSITION; HAFNIUM;

D O I：

10.1016/j.jms.2012.05.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Spectroscopic data for the ground and low-lying states of HIS have been obtained using the technique of pulse field ionization-zero electron kinetic energy (PFI-ZEKE) spectroscopy. Two-photon (1 + 1') PFI-ZEKE spectra were recorded for the levels X-2 Sigma(+)(v = 0-18), (2)Delta(3/2) (v = 0-8) and (2)Delta(5/2) ( v = 0-3). Assignments of the electronically excited states of HfS+ were guided by the results from CASSCF/MRCI+Q calculations with basis sets of triple zeta quality. Rotationally resolved spectra were recorded for the X-2 Sigma(+). ( v = 0) state using single rotational line excitation of the intermediate state. The ionization energy for HIS, and term energies and molecular constants for the ground and low-lying states of HfS+ are reported. (C) 2012 Elsevier Inc. All rights reserved.

引用

页码：35 / 40

页数：6

共 25 条

[1] Lifetime measurements of the D1Π state of HfS and the b3Π1 state of HfO [J].