Published 1986
| Version v1
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Unusual bond paths in organolithium compounds
Description
We have applied the topological method to a number of organolithium compounds. The wavefunctions were determined with GAUSSIAN-82 using 3-21G basis set and fully optimized geometries. Gradient paths were obtained using the RHODER package and critical points were located using EXTREME. These results indicate the unusual nature of organolithium compounds. The strange bond paths arise mainly from the ionic nature of the C-Li interaction. We suggest that the term ''bond path'' may best be suited for covalent bonds. 4 figs., 1 tab
Availability note (English)
MF available from INIS under the Report Number; Available from NTIS, PC A02/MF A01; 1 as DE86012441.
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Additional details
Publishing Information
- Imprint Pagination
- 9 p.
- Report number
- LA-UR--86-2181
Conference
- Title
- Gordon research conference on electron distributions and chemical bonding.
- Dates
- 30 Jun - 4 Jul 1986.
- Place
- Plymouth, NH (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 18012420
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- BOND LENGTHS; CARBON; CHEMICAL BONDS; COVALENCE; ELECTRON DENSITY; EXPERIMENTAL DATA; LAPLACIAN; LITHIUM; ORGANOMETALLIC COMPOUNDS
- Descriptors DEC
- ALKALI METALS; DATA; ELEMENTS; INFORMATION; MATHEMATICAL OPERATORS; METALS; NONMETALS; NUMERICAL DATA; ORGANIC COMPOUNDS
Optional Information
- Notes
- Portions of this document are illegible in microfiche products.
- Secondary number(s)
- CONF-8606165--1.