Ab Initio Study of the Stability of the Ylide-like Intermediate Methyleneoxonium in the Reaction between Singlet Methylene and Water-Reference-Cited by-同舟云学术

Ab Initio Study of the Stability of the Ylide-like Intermediate Methyleneoxonium in the Reaction between Singlet Methylene and Water

Published:1996-01-01 Issue:23 Volume:118 Page:5408-5411
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Gonzalez Carlos¹,Restrepo-Cossio Albeiro¹,Márquez Manuel¹,Wiberg Kenneth B.¹

Affiliation:

1. Contribution from the Pittsburgh Supercomputing Center, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, and Department of Chemistry, Yale University, New Haven, Connecticut 06520

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja952771m

Reference26 articles.

1. (b) Jones, M.; Moss, R. A.Carbenes; Wiley: New York, 1973; Vol. I.

2. (c) Jones, M.; Moss, R. A.Carbenes; Wiley: New York, 1975; Vol. II.

3. The potential surface and stretching frequencies of X̃ 3B1 methylene (CH2) determined from experiment using the Morse oscillator‐rigid bender internal dynamics Hamiltonian

4. Full valence complete active space SCF, multireference CI, and density functional calculations of 1A1—3B1 singlet—triplet gaps for the valence-isoelectronic series BH-2, CH2, NH+2, AlH-2, SiH2, PH+2, GaH-2, GeH2, and AsH+2

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