TY  - JOUR
AU  - Hadidi, Rim
AU  - Božanić, Dušan K.
AU  - Ganjitabar, Hassan
AU  - Garcia, Gustavo A.
AU  - Powis, Ivan
AU  - Nahon, Laurent
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9814
AB  - Proline is a unique amino-acid, with a secondary amine fixed within a pyrrolidine ring providing specific structural properties to proline-rich biopolymers. Gas-phase proline possesses four main H-bond stabilized conformers differing by the ring puckering and carboxylic acid orientation. The latter defines two classes of conformation, whose large ionization energy difference allows a unique conformer-class tagging via electron spectroscopy. Photoelectron circular dichroism (PECD) is an intense chiroptical effect sensitive to molecular structures, hence theorized to be highly conformation-dependent. Here, we present experimental evidence of an intense and striking conformer-specific PECD, measured in the vacuum ultraviolet (VUV) photoionization of proline, as well as a conformer-dependent cation fragmentation behavior. This finding, combined with theoretical modeling, allows a refinement of the conformational landscape and energetic ordering, that proves inaccessible to current molecular electronic structure calculations. Additionally, astrochemical implications regarding a possible link of PECD to the origin of life’s homochirality are considered in terms of plausible temperature constraints.
T2  - Communications Chemistry
T1  - Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline
VL  - 4
IS  - 1
SP  - 1
EP  - 14
DO  - 10.1038/s42004-021-00508-z
ER  - 

@article{
author = "Hadidi, Rim and Božanić, Dušan K. and Ganjitabar, Hassan and Garcia, Gustavo A. and Powis, Ivan and Nahon, Laurent",
year = "2021",
abstract = "Proline is a unique amino-acid, with a secondary amine fixed within a pyrrolidine ring providing specific structural properties to proline-rich biopolymers. Gas-phase proline possesses four main H-bond stabilized conformers differing by the ring puckering and carboxylic acid orientation. The latter defines two classes of conformation, whose large ionization energy difference allows a unique conformer-class tagging via electron spectroscopy. Photoelectron circular dichroism (PECD) is an intense chiroptical effect sensitive to molecular structures, hence theorized to be highly conformation-dependent. Here, we present experimental evidence of an intense and striking conformer-specific PECD, measured in the vacuum ultraviolet (VUV) photoionization of proline, as well as a conformer-dependent cation fragmentation behavior. This finding, combined with theoretical modeling, allows a refinement of the conformational landscape and energetic ordering, that proves inaccessible to current molecular electronic structure calculations. Additionally, astrochemical implications regarding a possible link of PECD to the origin of life’s homochirality are considered in terms of plausible temperature constraints.",
journal = "Communications Chemistry",
title = "Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline",
volume = "4",
number = "1",
pages = "1-14",
doi = "10.1038/s42004-021-00508-z"
}

Hadidi, R., Božanić, D. K., Ganjitabar, H., Garcia, G. A., Powis, I.,& Nahon, L.. (2021). Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline. in Communications Chemistry, 4(1), 1-14.
https://doi.org/10.1038/s42004-021-00508-z

Hadidi R, Božanić DK, Ganjitabar H, Garcia GA, Powis I, Nahon L. Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline. in Communications Chemistry. 2021;4(1):1-14.
doi:10.1038/s42004-021-00508-z .

Hadidi, Rim, Božanić, Dušan K., Ganjitabar, Hassan, Garcia, Gustavo A., Powis, Ivan, Nahon, Laurent, "Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline" in Communications Chemistry, 4, no. 1 (2021):1-14,
https://doi.org/10.1038/s42004-021-00508-z . .