PreprintarXiv licencearXiv
Hydrogen isotope mixing entropy in ammonia clusters
Abstract
Measured evaporation branching ratios of partially deuterated isotopologues of protonated ammonia clusters (NH3)N H+ (N ≥ 8) show ratios that depend only on the clusters' deuterium mole fraction. This demonstrates randomly distributed protium and deuterium in the molecules and can be used to determine free energy differences in the product cluster. The entropy thus determined is exclusively the deuterium-protium mixing entropy. The relative dissociation energies of the four isotopologues are determined and with the support of quantum chemistry calculations, their absolute values are estimated.
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BibTeX
@misc{hansen2026hydrogen,
title = {{Hydrogen isotope mixing entropy in ammonia clusters}},
author = {Klavs Hansen and Åke Andersson and Johannes Reichegger and Siegfried Kollotzek and Paul Scheier},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.19901},
eprint = {2609.19901},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.19901},
}
RIS
TY - UNPB
TI - Hydrogen isotope mixing entropy in ammonia clusters
AU - Klavs Hansen
AU - Åke Andersson
AU - Johannes Reichegger
AU - Siegfried Kollotzek
AU - Paul Scheier
PY - 2026
DA - 2026/09/17
PB - arXiv
DO - 10.48550/arxiv.2609.19901
UR - https://arxiv.org/abs/2609.19901
AB - Measured evaporation branching ratios of partially deuterated isotopologues of protonated ammonia clusters (NH_3)_N H^+ (N ≥ 8) show ratios that depend only on the clusters' deuterium mole fraction. This demonstrates randomly distributed protium and deuterium in the molecules and can be used to determine free energy differences in the product cluster. The entropy thus determined is exclusively the deuterium-protium mixing entropy. The relative dissociation energies of the four isotopologues are determined and with the support of quantum chemistry calculations, their absolute values are estimated.
ER -