Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “C-Cl-H-N-V”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VH24C4N4Cl7 by Materials Project

(VCl6)2(CH3NH3)8Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, sixteen methylammonium molecules, and four VCl6 clusters. In each VCl6 cluster, V3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.40–2.43 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VH8C10N3Cl4 by Materials Project

VC8N3H6Cl4(CH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight methane molecules and four VC8N3H6Cl4 clusters. In each VC8N3H6Cl4 cluster, V5+ is bonded in a distorted octahedral geometry to three N3- and three Cl1- atoms. There are a spread of V–N bond distances ranging from 1.67–2.25 Å. There are a spread of V–Cl bond distances ranging from 2.27–2.33 Å. There are eight inequivalent C sites. In the first C site, C is bonded in a distorted trigonal planar geometry to one C, one N3-, and one H1+ atom. The C–C bond length is 1.39 Å. The C–N bond length is 1.35 Å. The C–H bond length is 1.09 Å. In the second C site, C is bonded in a distorted trigonal planar geometry to two C and one N3- atom. There is one shorter (1.40 Å) and one longer (1.47 Å) C–C bond length. The C–N bond length is 1.36 Å. In the third C site, C is bonded in a distorted trigonal planar geometry to two C and one N3- atom. The C–C bond length is 1.40 Å. The C–N bond length is 1.36 Å. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to one N3- and one H1+ atom. The C–N bond length is 1.34 Å. The C–H bond length is 1.09 Å. In the fifth C site, C is bonded in a distorted trigonal planar geometry to two C and one H1+ atom. The C–C bond length is 1.39 Å. The C–H bond length is 1.09 Å. In the sixth C site, C is bonded in a distorted single-bond geometry to two C and one H1+ atom. The C–C bond length is 1.39 Å. The C–H bond length is 1.09 Å. In the seventh C site, C is bonded in a distorted trigonal planar geometry to two C and one H1+ atom. The C–H bond length is 1.09 Å. In the eighth C site, C is bonded in a distorted single-bond geometry to one C and one H1+ atom. The C–H bond length is 1.09 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one V5+ and one Cl1- atom. The N–Cl bond length is 1.61 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one V5+ and two C atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one V5+ and two C atoms. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VH21C7N4Cl7 by Materials Project

VC3H9(NCl)3(CH3)2NH2(CH2Cl2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen dichloromethane molecules, eight dimethylazanium molecules, and four VC3H9(NCl)3 clusters. In each VC3H9(NCl)3 cluster, V2+ is bonded to three N3- and three Cl1- atoms to form distorted face-sharing VN3Cl3 octahedra. There are a spread of V–N bond distances ranging from 1.90–1.97 Å. There are a spread of V–Cl bond distances ranging from 2.41–2.59 Å. There are three inequivalent C+0.57- sites. In the first C+0.57- site, C+0.57- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.48 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the second C+0.57- site, C+0.57- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.47 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C+0.57- site, C+0.57- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.45 Å. There is one shorter (1.08 Å) and two longer (1.10 Å) C–H bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent V2+ and one N3- atom. The N–N bond length is 1.29 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two C+0.57- and one N3- atom. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent V2+ and one N3- atom. The N–N bond length is 1.26 Å. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent C+0.57- and one N3- atom. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.57- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V2+ atom.

36 MATERIALS SCIENCE↗