Ab initio study of the gas-phase structure and electronic properties of M–CH3 (M=Li, Na) and M–CCH (M=Li, Na, K): A combined post-Hartree–Fock and density functional theory study-Reference-Cited by-同舟云学术

Ab initio study of the gas-phase structure and electronic properties of M–CH3 (M=Li, Na) and M–CCH (M=Li, Na, K): A combined post-Hartree–Fock and density functional theory study

Published:2000-01-15 Issue:3 Volume:112 Page:1178-1191
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Scalmani G.,Brédas J. L.,Barone V.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.480671

Reference41 articles.

1. Structures of Organo Alkali Metal Complexes and Related Compounds

2. Lithium and Cesium Ion-Pair Acidities of Some Terminal Acetylenes and Aggregation in Tetrahydrofuran1

3. Lithium and Cesium Ion-Pair Acidities of Some Terminal Acetylenes and Aggregation in Tetrahydrofuran1

4. Alkali Metal Cation π-Interactions in Metalated and Nonmetalated Acetylenes: π-Bonded Lithiums in the X-ray Crystal Structures of [Li−C⋮C−SiMe2−C6H4−OMe]6 and [Li−O−CMe2−C⋮C−H]6 and Computational Studies

5. Alkali Metal Cation π-Interactions in Metalated and Nonmetalated Acetylenes: π-Bonded Lithiums in the X-ray Crystal Structures of [Li−C⋮C−SiMe2−C6H4−OMe]6 and [Li−O−CMe2−C⋮C−H]6 and Computational Studies

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