X-ray photoelectron spectroscopic study of trifluoromethyl isocyanide. Back-bonding, fluorine lone-pair ionization potentials, and the CF/sub 3/NC. -->. CF/sub 3/CN isomerization energy
Journal Article
·
· Inorg. Chem.; (United States)
Core binding energy data for CF/sub 3/NC, Cr(CO)/sub 5/CNCF/sub 3/, and W(CO)/sub 5/CNCF/sub 3/ indicate that CF/sub 3/NC is a very strong ..pi..-acceptor ligand, practically as strong as CO. The core and fluorine lone-pair valence ionization potentials of CF/sub 3/NC and CF/sub 3/CN show that the net interaction of the fluorine lone-pair orbitals with other orbitals in these molecules is zero. The core data for CF/sub 3/NC and CF/sub 3/CN, when interpreted with the equivalent cores approximation, lead to a CF/sub 3/NC ..-->.. CF/sub 3/CN isomerization energy of -23 kcal mol/sup -1/.
- Research Organization:
- Lawrence Berkeley Lab., CA
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 5133062
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 24:12; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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A synthetic and computational study of fluorinated isocyanides
Photochemistry of the dinuclear cobalt(III) complexes (CN)/sub 5/Co(. mu. -CN)Co(NH/sub 3/)/sub 5/ and (CN)/sub 5/Co(. mu. -NC)Co(NH/sub 3/)/sub 5/. Intramolecular energy transfer between metal centers
Applications of the equivalent cores approximation. The determination of proton affinities and isocyanide-to-nitrile isomerization energies from core binding energies
Thesis/Dissertation
·
Thu Dec 31 23:00:00 EST 1992
·
OSTI ID:7207399
Photochemistry of the dinuclear cobalt(III) complexes (CN)/sub 5/Co(. mu. -CN)Co(NH/sub 3/)/sub 5/ and (CN)/sub 5/Co(. mu. -NC)Co(NH/sub 3/)/sub 5/. Intramolecular energy transfer between metal centers
Journal Article
·
Wed Jul 01 00:00:00 EDT 1981
· Inorg. Chem.; (United States)
·
OSTI ID:6427784
Applications of the equivalent cores approximation. The determination of proton affinities and isocyanide-to-nitrile isomerization energies from core binding energies
Journal Article
·
Tue Feb 07 23:00:00 EST 1984
· J. Am. Chem. Soc.; (United States)
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OSTI ID:5075864
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
CARBONYLS
CHEMICAL ANALYSIS
CHEMICAL REACTIONS
CHROMIUM COMPLEXES
COMPLEXES
CYANIDES
ELECTRON SPECTROSCOPY
FLUORINATED ALIPHATIC HYDROCARBONS
HALOGENATED ALIPHATIC HYDROCARBONS
IONIZATION POTENTIAL
ISOMERIZATION
MOLECULAR STRUCTURE
NONDESTRUCTIVE ANALYSIS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
SPECTROSCOPY
SULFUR COMPOUNDS
TRANSITION ELEMENT COMPLEXES
X-RAY EMISSION ANALYSIS
400201 -- Chemical & Physicochemical Properties
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
CARBONYLS
CHEMICAL ANALYSIS
CHEMICAL REACTIONS
CHROMIUM COMPLEXES
COMPLEXES
CYANIDES
ELECTRON SPECTROSCOPY
FLUORINATED ALIPHATIC HYDROCARBONS
HALOGENATED ALIPHATIC HYDROCARBONS
IONIZATION POTENTIAL
ISOMERIZATION
MOLECULAR STRUCTURE
NONDESTRUCTIVE ANALYSIS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
SPECTROSCOPY
SULFUR COMPOUNDS
TRANSITION ELEMENT COMPLEXES
X-RAY EMISSION ANALYSIS