Journal article
Authors list: Wagner, JP; Reisenauer, HP; Hirvonen, V; Wu, CH; Tyberg, JL; Allen, WD; Schreiner, PR
Publication year: 2016
Pages: 7858-7861
Journal: Chemical Communications
Volume number: 52
Issue number: 50
Open access status: Hybrid
DOI Link: https://doi.org/10.1039/C6CC01756H
Publisher: Royal Society of Chemistry
The cis,trans-conformer of carbonic acid (H2CO3),
Abstract:
generated by near-infrared radiation, undergoes an unreported quantum
mechanical tunnelling rotamerization with half-lives in cryogenic
matrices of 4–20 h, depending on temperature and host material.
First-principles quantum chemistry at high levels of theory gives a
tunnelling half-life of about 1 h, quite near those measured for the
fastest rotamerizations.
Citation Styles
Harvard Citation style: Wagner, J., Reisenauer, H., Hirvonen, V., Wu, C., Tyberg, J., Allen, W., et al. (2016) Tunnelling in carbonic acid, Chemical Communications, 52(50), pp. 7858-7861. https://doi.org/10.1039/C6CC01756H
APA Citation style: Wagner, J., Reisenauer, H., Hirvonen, V., Wu, C., Tyberg, J., Allen, W., & Schreiner, P. (2016). Tunnelling in carbonic acid. Chemical Communications. 52(50), 7858-7861. https://doi.org/10.1039/C6CC01756H
