Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SnH4”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SnH4(NF)2 by Materials Project

SnH4(NF)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two SnH4(NF)2 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form edge-sharing SnN4F2 octahedra. All Sn–N bond lengths are 2.18 Å. Both Sn–F bond lengths are 2.05 Å. N3- is bonded in a distorted water-like geometry to two equivalent Sn4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. F1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnH4 by Materials Project

SnH4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 7440-31-5 molecules and four hydrogen molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnH4 by Materials Project

SnH4 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of four hydrogen molecules and two H2Sn sheets oriented in the (0, 0, 1) direction. In each H2Sn sheet, Sn2+ is bonded in a 2-coordinate geometry to four equivalent H+0.50- atoms. There are two shorter (1.94 Å) and two longer (2.34 Å) Sn–H bond lengths. H+0.50- is bonded in a distorted bent 120 degrees geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnH4 by Materials Project

SnH4 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules and eight hydrogen molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnH4 by Materials Project

SnH4 is Cyanogen Chloride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two hydrogen molecules and two snh2 molecules.

36 MATERIALS SCIENCE↗
NASA NTRS1990

All-electron molecular Dirac-Hartree-Fock calculations: The group 4 tetrahydrides CH4, SiH4, GeH4, SnH4 and PbH4

A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but non of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

Dyall, Kenneth G.↗
NASA NTRS1991

All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4

A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but none of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

Dyall, Kenneth G.↗
DOE OSTI2020

Materials Data on SnH4(ClO)2 by Materials Project

SnH2OCl2H2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four stannous chloride hydrate molecules and four water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnH10Br4O5 by Materials Project

SnH4(OBr2)2(H2O)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve water molecules and four SnH4(OBr2)2 clusters. In each SnH4(OBr2)2 cluster, Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Br1- atoms. Both Sn–O bond lengths are 2.19 Å. There are two shorter (2.58 Å) and two longer (2.60 Å) Sn–Br bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗