Tinning the carbon: hydrostannanes strike back

Carbon possesses an important ability to be in a valence state of IV, which is essential for organic chemistry and all carbon-based life forms. In turn, tin is usually observed in the valence state of II, although it is a carbon group element. This creates an open question about the possibility of t...

Full description

Saved in:
Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2022-12, Vol.52 (1), p.29-36
Main Authors: Rublev, Pavel, Tkachenko, Nikolay V, Pozdeev, Anton S, Boldyrev, Alexander I
Format: Article
Language:English
Subjects:
Aromaticity
Carbon
Chemical bonds
Global geometry
Molecular dynamics
Organic chemistry
Quantum chemistry
Simulated annealing
Stoichiometry
Tin compounds
Valence
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Carbon possesses an important ability to be in a valence state of IV, which is essential for organic chemistry and all carbon-based life forms. In turn, tin is usually observed in the valence state of II, although it is a carbon group element. This creates an open question about the possibility of the existence of tin-based "organic" molecules. In this work, we investigate hydro-tin compounds Sn 2 H x ( x = 1-6) and Sn 3 H y ( y = 1-8) via DFT and ab initio quantum chemistry methods, studying their global minimum geometry, thermodynamic stability, and chemical bonding patterns. We show that hydrogen-saturated stoichiometries (Sn 2 H 6 and Sn 3 H 8 ) are exact analogs of hydrocarbons, while unsaturated stoichiometries are characterized by multi-center bonds, aromaticity, and different valence states of tin. In addition, a refined procedure of global geometry minimization based on simulated annealing and ab initio molecular dynamics is proposed. Are tin-based "organic" molecules possible? We investigate hydrostannanes compounds Sn 2 H x ( x = 1-6) and Sn 3 H y ( y = 1-8) via quantum chemistry methods, studying their global minimum geometry, thermodynamic stability, and chemical bonding pattern.
ISSN:1477-9226
1477-9234
DOI:10.1039/d2dt03545f