THE 3-PI-0U[- X 3-DELTA-1G BAND SYSTEM OF JET-COOLED TI2

被引：82

作者：

DOVERSTAL, M ^{[1
]}

LINDGREN, B ^{[1
]}

SASSENBERG, U ^{[1
]}

ARRINGTON, CA ^{[1
]}

MORSE, MD ^{[1
]}

机构：

[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 97卷 / 10期

关键词：

D O I：

10.1063/1.463534

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A band of jet-cooled Ti-48(2) has been located in the near infrared by resonant two-photon ionization spectroscopy. Rotational analysis has shown the band to be an OMEGA' = 0+/- <-- OMEGA" = 1 transition, which is consistent with the 3DELTA(g) ground state proposed by Bauschlicher et al. [J. Chem. Phys. 95, 1057 (1991)]. The band is assigned as a 3PI0u <-- X3DELTA1g transition, and lower and upper state bond lengths have been determined as r0(X3DELTA(g)) = 1.9422 +/- 0.0008 angstrom and r0(3PI(u)) = 1.997 +/- 0.009 angstrom (1sigma error limits, corrected for spin-uncoupling effects). Comparisons are made to the TiV and V2 Molecules, a rationale for the unusual filling order of the 3d-based molecular orbitals is provided, and molecular orbital assignments are considered for the excited 3PI(u) state.

引用

页码：7087 / 7092

页数：6

共 62 条

[1] ROTATIONAL ANALYSIS OF BANDS OF GASEOUS AU2 MOLECULE [J].