Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls-Reference-Cited by-同舟云学术

Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls

Author:

Rossomme Elliot¹²³⁴⁵^ORCID,Lininger Christianna N.⁶⁷⁴⁵⁸^ORCID,Bell Alexis T.⁶⁷⁴⁵⁸^ORCID,Head-Gordon Teresa¹²³⁴⁵^ORCID,Head-Gordon Martin¹²³⁴⁵^ORCID

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry

2. Department of Chemistry

3. University of California

4. Berkeley

5. USA

6. Chemical Sciences Division

7. Lawrence Berkeley National Laboratory

8. Department of Chemical and Biomolecular Engineering

Abstract

Our direct DFT decomposition of CO frequency shifts updates the paradigm for metal carbonyl binding.

Funder

Basic Energy Sciences

University of California

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference109 articles.

1. F. A. Cotton and G.Wilkinson , Advanced Inorganic Chemistry , John Wiley & Sons, Inc. , New York, NY , 5th edn, 1988 , pp. 58–62

Cited by 21 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献