The Ground State of (CS)4 Is Different from That of (CO)4: An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy-Reference-Cited by-同舟云学术

The Ground State of (CS)4 Is Different from That of (CO)4: An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy

Published:2013-08-09 Issue:33 Volume:117 Page:7841-7846
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhang Jian¹²,Hrovat David A.³,Sun Zhenrong¹,Bao Xiaoguang⁴,Borden Weston Thatcher³,Wang Xue-Bin²

Affiliation:

1. State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China

2. Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MS K8-88, Richland, Washington 99352, United States

3. Department of Chemistry and the Center for Advanced, Scientific Computing and Modeling, University of North Texas, 1155 Union Circle, #305070, Denton, Texas 76203-5070, United States

4. College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 199 Ren-Ai Road, Suzhou Industrial Park, Suzhou, Jiangsu 215123, China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp406160d

Reference37 articles.

1. On the Stability of the Tetramers of Carbon Monoxide, Hydrogen Isocyanide, and Vinylidene. A Molecular Orbital Theoretical Rationalization

2. Stability of Tetraoxocyclobutane Revised: Perturbation Theory and Density Functional Scheme

3. Reinvestigation of the ordering of the low-lying electronic states of cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 calculations

4. Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

5. Molecular Orbitals of the Oxocarbons (CO)n, n = 2–6. Why Does (CO)4 Have a Triplet Ground State?

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