2017
DOI: 10.13005/ojc/330201
|View full text |Cite
|
Sign up to set email alerts
|

NMR (13C, 17O), IR and Raman Studies of Poly-nuclear Carbonyls Transition Metal Carbonyls : A DFT Application

Abstract: DFT implemented in ADF 2012.01 was used to know about the relative spatial displacements of three/four metals and the surrounding12 terminal and bridging CO groups in 5 poly-nuclear carbo nyls: [M 3 (CO) O), 2 diamagnetic and 4 paramagnetic contributing terms in the s values of constituents.The k and j values of constituents were obtained from the same program by using a new Input File.There after, the software was run with Frequencies and Raman full to obtain frequencies of the normal modes of all the (3n… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2020
2020
2020
2020

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
(1 citation statement)
references
References 21 publications
(43 reference statements)
0
1
0
Order By: Relevance
“…From this perspective, the reported benchmarks rarely cover typical organometallic ligands or classes of compounds. [ 56 ] To our knowledge, the only exception is the family of metal carbonyls, [ 57–60 ] which was studied quite systematically.…”
Section: Introductionmentioning
confidence: 99%
“…From this perspective, the reported benchmarks rarely cover typical organometallic ligands or classes of compounds. [ 56 ] To our knowledge, the only exception is the family of metal carbonyls, [ 57–60 ] which was studied quite systematically.…”
Section: Introductionmentioning
confidence: 99%