Relationships between DFT/RRKM Branching Ratios of the Complementary Fragment Ions [C5H5O]+ and [M – C5H5O]+ and Relative Abundances in the EI Mass Spectrum of N-(2-Furylmethyl)aniline-Reference-Cited by-同舟云学术

Relationships between DFT/RRKM Branching Ratios of the Complementary Fragment Ions [C5H5O]+ and [M – C5H5O]+ and Relative Abundances in the EI Mass Spectrum of N-(2-Furylmethyl)aniline

Published:2012-11-30 Issue:49 Volume:116 Page:12136-12147
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Vallejo Narváez Wilmer E.¹,Bacca Villota Paula V.¹,Solano Espinoza Eduardo A.¹

Affiliation:

1. Laboratorio de Química Teórica (LQT), Departamento de Química, Universidad de Nariño, Sede Torobajo, Calle 18 Carrera 50, Pasto, Colombia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp306643r

Reference30 articles.

1. SYNTHESIS OF SOME SECONDARY AMINE DERIVATIVES BEARING A HETEROARYL FRAGMENT

2. Structure–activity relationship study of homoallylamines and related derivatives acting as antifungal agents

3. Antifungal and cytotoxic activities of some N-substituted aniline derivatives bearing a hetaryl fragment

4. Linear free energy relationships in CN bond dissociations in molecular ions of 4-substitutedN-(2-furylmethyl)anilines in the gas phase

5. Ion [C5H5O]+ formation in the electron-impact mass spectra of 4-substituted N-(2-furylmethyl)anilines. Relative abundance prediction ability of the DFT calculations

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