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Materials Data on Si(H3C)2 by Materials Project

Si(CH3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four methylsilicon molecules; eight silane, dimethyl- molecules; and four trimethylsilyl radical molecules.

36 MATERIALS SCIENCE↗

Materials Data on Si(H3C)4 by Materials Project

Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three equivalent H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.

36 MATERIALS SCIENCE↗

Materials Data on Si(H3C)2 by Materials Project

Si(CH3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two dimethylsilane molecules, two silicon molecules, and four trimethylsilyl radical molecules.

36 MATERIALS SCIENCE↗

Materials Data on Si10(H3C)19 by Materials Project

Si5(CH3)9(Si(CH3)2)5 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four [(dimethyl-$l^{3}-silanyl)-bis(trimethylsilyl)silyl]-dimethylsilicon molecules and four [bis(dimethyl-$l^{3}-silanyl)-trimethylsilylsilyl]-dimethylsilicon molecules.

36 MATERIALS SCIENCE↗

Materials Data on Si(H3C)2 by Materials Project

Si(CH3)2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of sixteen dimethylsilane molecules, four silicon molecules, and eight trimethylsilyl radical molecules.

36 MATERIALS SCIENCE↗

Materials Data on Si(H3C)4 by Materials Project

Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the third C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.

36 MATERIALS SCIENCE↗

Materials Data on Si10(H3C)19 by Materials Project

Si5(CH3)9(Si(CH3)2)5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of ten dimethylsilane molecules and two Si5(CH3)9 clusters. In each Si5(CH3)9 cluster, there are five inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to one Si and one C atom. The Si–Si bond length is 2.48 Å. The Si–C bond length is 1.92 Å. In the second Si site, Si is bonded to four Si atoms to form SiSi4 tetrahedra that share corners with nine CSiH3 tetrahedra. There are a spread of Si–Si bond distances ranging from 2.39–2.47 Å. In the third Si site, Si is bonded in a water-like geometry to one Si and two C atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. In the fourth Si site, Si is bonded in a trigonal non-coplanar geometry to one Si and three C atoms. All Si–C bond lengths are 1.89 Å. In the fifth Si site, Si is bonded in a trigonal non-coplanar geometry to one Si and three C atoms. There is one shorter (1.89 Å) and two longer (1.90 Å) Si–C bond length. There are nine inequivalent C sites. In the first C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and a cornercorner with one CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the third C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and a cornercorner with one CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourth C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifth C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the sixth C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the seventh C site, C is bonded to one Si and three H atoms to form CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighth C site, C is bonded to one Si and three H atoms to form distorted CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the ninth C site, C is bonded to one Si and three H atoms to form distorted CSiH3 tetrahedra that share a cornercorner with one SiSi4 tetrahedra and corners with two CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are twenty-seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom. In the third H site, H is bonded in a single-bond geometry to one C atom. In the fourth H site, H is bonded in a single-bond geometry to one C atom. In the fifth H site, H is bonded in a single-bond geometry to one C atom. In the sixth H site, H is bonded in a single-bond geometry to one C atom. In the seventh H site, H is bonded in a single-bond geometry to one C atom. In the eighth H site, H is bonded in a single-bond geometry to one C atom. In the ninth H site, H is bonded in a single-bond geometry to one C atom. In the tenth H site, H is bonded in a single-bond geometry to one C atom. In the eleventh H site, H is bonded in a single-bond geometry to one C atom. In the twelfth H site, H is bonded in a single-bond geometry to one C atom. In the thirteenth H site, H is bonded in a single-bond geometry to one C atom. In the fourteenth H site, H is bonded in a single-bond geometry to one C atom. In the fifteenth H site, H is bonded in a single-bond geometry to one C atom. In the sixteenth H site, H is bonded in a single-bond geometry to one C atom. In the seventeenth H site, H is bonded in a single-bond geometry to one C atom. In the eighteenth H site, H is bonded in a single-bond geometry to one C atom. In the nineteenth H site, H is bonded in a single-bond geometry to one C atom. In the twentieth H site, H is bonded in a single-bond geometry to one C atom. In the twenty-first H site, H is bonded in a single-bond geometry to one C atom. In the twenty-second H site, H is bonded in a single-bond geometry to one C atom. In the twenty-third H site, H is bonded in a single-bond geometry to one C atom. In the twenty-fourth H site, H is bonded in a single-bond geometry to one C atom. In the twenty-fifth H site, H is bonded in a single-bond geometry to one C atom. In the twenty-sixth H site, H is bonded in a single-bond geometry to one C atom. In the twenty-seventh H site, H is bonded in a single-bond geometry to one C atom.

36 MATERIALS SCIENCE↗