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Lin C, Kumar M, Finney BA, et al. Intramolecular hydrogen bonding in malonaldehyde and its radical analogues. J Chem Phys. 2017;147(12):124309doi: 10.1063/1.4996563.
Lin, C., Kumar, M., Finney, B. A., & Francisco, J. S. (2017). Intramolecular hydrogen bonding in malonaldehyde and its radical analogues. The Journal of chemical physics, 147(12), 124309. https://doi.org/10.1063/1.4996563
Lin, Chen, et al. "Intramolecular hydrogen bonding in malonaldehyde and its radical analogues." The Journal of chemical physics vol. 147,12 (2017): 124309. doi: https://doi.org/10.1063/1.4996563
Lin C, Kumar M, Finney BA, Francisco JS. Intramolecular hydrogen bonding in malonaldehyde and its radical analogues. J Chem Phys. 2017 Sep 28;147(12):124309. doi: 10.1063/1.4996563. PMID: 28964036.
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J Chem Phys. 2017 Sep 28;147(12):124309. doi: 10.1063/1.4996563.

Intramolecular hydrogen bonding in malonaldehyde and its radical analogues.

The Journal of chemical physics

Chen Lin, Manoj Kumar, Brian A Finney, Joseph S Francisco

Affiliations

  1. Department of Chemistry and Department of Earth and Atmospheric Science, Purdue University, West Lafayette, Indiana 47907-1393, USA.
  2. Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588-0321, USA.

PMID: 28964036 DOI: 10.1063/1.4996563

Abstract

High level Brueckner doubles with triples correction method-based ab initio calculations have been used to investigate the nature of intramolecular hydrogen bonding and intramolecular hydrogen atom transfer in cis-malonaldehyde (MA) and its radical analogues. The radicals considered here are the ones that correspond to the homolytic cleavage of C-H bonds in cis-MA. The results suggest that cis-MA and its radical analogues, cis-MA

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