research article

Structural Trends in Transition Metal Cation-Acetylene Complexes Revealed through the C-H Stretching Fundamentals

Walters, Richard S.
•
Schleyer, Paul v R.
•
Corminboeuf, Clemence  
Show more
2005
Journal of the American Chemical Society

Metal cation-acetylene complexes (M = V, Fe, Co, Ni) are produced in mol. beams and studied with IR photodissocn. spectroscopy in the C-H stretching region. Each complex has two vibrational bands corresponding to the sym. and asym. stretches of acetylene that are shifted to the red of these vibrations in the isolated acetylene mol. D. functional theory reveals the sources of the red shifted vibrations and their relative magnitudes. Fe+, Co+, and Ni+ form pi-complexes with acetylene, while V+(C2H2) is a metallacycle. [on SciFinder (R)]

Type
research article
DOI
10.1021/ja043766y
Author(s)
Walters, Richard S.
Schleyer, Paul v R.
Corminboeuf, Clemence  
Duncan, Michael A.
Date Issued

2005

Published in
Journal of the American Chemical Society
Volume

127

Issue

4

Start page

1100

End page

1101

Subjects

Transition metals Role: CPS (Chemical process)

•

PEP (Physical

•

engineering or chemical process)

•

PRP (Properties)

•

PROC (Process) (ions; structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals examd. via exptl. IR photodissocn. spectroscopy and DFT calcns.); Molecular structure (optimized; structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals examd. via exptl. IR photodissocn. spectroscopy and DFT calcns.); Density functional theory; Vibrational frequency (structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals examd. via exptl. IR photodissocn. spectroscopy and DFT calcns.); Transition metal complexes Role: CPS (Chemical process)

•

PEP (Physical

•

engineering or chemical process)

•

PRP (Properties)

•

PROC (Process) (structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals examd. via exptl. IR photodissocn. spectroscopy and DFT calcns.)

•

metal cation acetylene complex IR photodissocn stretching DFT calcn

Note

CAN 142:261636

29-13

Organometallic and Organometalloidal Compounds

Department of Chemistry,University of Georgia,Athens,GA,USA.

Journal

written in English.

14067-02-8; 14782-33-3; 14903-34-5; 16610-75-6; 109801-95-8; 110295-08-4; 124687-59-8; 124687-60-1; 845727-78-8; 845727-79-9; 845727-80-2; 845727-81-3; 845727-82-4; 845727-83-5; 845727-84-6; 845727-85-7 Role: CPS (Chemical process), PEP (Physical, engineering or chemical process), PRP (Properties), PROC (Process) (structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals examd. via exptl. IR photodissocn. spectroscopy and DFT calcns.)

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LCMD  
Available on Infoscience
October 22, 2007
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/13183