Photoelectron Spectroscopy and Computational Study on Microsolvated [B10H10]2– Clusters and Comparisons to Their [B12H12]2– Analogues DOI
Wenjin Cao, Zhubin Hu, Haitao Sun

и другие.

The Journal of Physical Chemistry A, Год журнала: 2024, Номер 128(33), С. 6981 - 6988

Опубликована: Авг. 7, 2024

Microhydrated closo-boranes have attracted great interest due to their superchaotropic activity related the well-known Hofmeister effect and important applications in biomedical battery fields. In this work, we report a combined negative ion photoelectron spectroscopy quantum chemical investigation on hydrated closo-decaborate clusters [B10H10]2–·nH2O (n = 1–7) with direct comparison analogues [B12H12]2–·nH2O free water clusters. A single H2O molecule is found be sufficient stabilize intrinsically unstable [B10H10]2– dianion. The first two molecules strongly interact solute forming B–H···H–O dihydrogen bonds while additional show substantially reduced binding energies. Unlike possessing highly structured network attached arranged unified pattern by maximizing bonding, distinct structural arrangements of within are achieved cluster networks from trimer heptamer resembling Such difference arises variations size, symmetry, charge distributions between these dianions. present finding again confirms diversity hydrogen-bonding microhydrated enriches our understanding aqueous borate chemistry.

Язык: Английский

Intercluster B-H and B-B Aggregation in iso- and trans-[B20H18]2-. Spherical Aromaticity in Borane Dimers DOI
Peter L. Rodríguez‐Kessler, Àlvaro Muñoz-Castro

Dalton Transactions, Год журнала: 2024, Номер 53(33), С. 13960 - 13967

Опубликована: Янв. 1, 2024

The formation of molecular-based functional materials is a key step towards the development technologies at nanoscale. Recently, it has been shown that after oxidation

Язык: Английский

Процитировано

1
Photoelectron Spectroscopy and Computational Study on Microsolvated [B10H10]2– Clusters and Comparisons to Their [B12H12]2– Analogues DOI
Wenjin Cao, Zhubin Hu, Haitao Sun

и другие.

The Journal of Physical Chemistry A, Год журнала: 2024, Номер 128(33), С. 6981 - 6988

Опубликована: Авг. 7, 2024

Microhydrated closo-boranes have attracted great interest due to their superchaotropic activity related the well-known Hofmeister effect and important applications in biomedical battery fields. In this work, we report a combined negative ion photoelectron spectroscopy quantum chemical investigation on hydrated closo-decaborate clusters [B10H10]2–·nH2O (n = 1–7) with direct comparison analogues [B12H12]2–·nH2O free water clusters. A single H2O molecule is found be sufficient stabilize intrinsically unstable [B10H10]2– dianion. The first two molecules strongly interact solute forming B–H···H–O dihydrogen bonds while additional show substantially reduced binding energies. Unlike possessing highly structured network attached arranged unified pattern by maximizing bonding, distinct structural arrangements of within are achieved cluster networks from trimer heptamer resembling Such difference arises variations size, symmetry, charge distributions between these dianions. present finding again confirms diversity hydrogen-bonding microhydrated enriches our understanding aqueous borate chemistry.

Язык: Английский

Процитировано

1