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Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti). / Davydova, Elena I.; Timoshkin, Alexey Y.; Sevastianova, Tatiana N.; Suvorov, Andrey V.; Frenking, Gernot.

In: Molecular Physics, Vol. 107, No. 8-12, 01.2009, p. 899-910.

Research output: Contribution to journal › Article › peer-review

Harvard

Davydova, EI, Timoshkin, AY, Sevastianova, TN, Suvorov, AV & Frenking, G 2009, 'Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti)', Molecular Physics, vol. 107, no. 8-12, pp. 899-910. https://doi.org/10.1080/00268970802680489

APA

Davydova, E. I., Timoshkin, A. Y., Sevastianova, T. N., Suvorov, A. V., & Frenking, G. (2009). Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti). Molecular Physics, 107(8-12), 899-910. https://doi.org/10.1080/00268970802680489

Vancouver

Davydova EI, Timoshkin AY, Sevastianova TN, Suvorov AV, Frenking G. Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti). Molecular Physics. 2009 Jan;107(8-12):899-910. https://doi.org/10.1080/00268970802680489

Author

Davydova, Elena I. ; Timoshkin, Alexey Y. ; Sevastianova, Tatiana N. ; Suvorov, Andrey V. ; Frenking, Gernot. / Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti). In: Molecular Physics. 2009 ; Vol. 107, No. 8-12. pp. 899-910.

BibTeX

@article{c609e49061fc467995a96190eb51ecc0,
title = "Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti)",
abstract = "Structures and thermodynamic properties of amido and imido monomer and oligomer compounds as potential single-source precursors for group 14 nitrides have been obtained at the B3LYP/DZP level of theory. The thermodynamic analysis shows that Cl3MNH2 amido compounds are stable with respect to both HCl elimination and oligomerization processes. In contrast, Cl2MNH and ClMN species should undergo oligomerization. Formation of trimer compounds is more exothermic compared to the corresponding dimers. The M(IV) and M(II) cubanes are found to be the most promising precursors for group 14 nitrides: the ammonolysis reaction of cubanes is thermodynamically allowed in a wide temperature range for all M.",
keywords = "Cubanes, Germanium, Monomer, Oligomer, Silicon, Tin, Titanium",
author = "Davydova, {Elena I.} and Timoshkin, {Alexey Y.} and Sevastianova, {Tatiana N.} and Suvorov, {Andrey V.} and Gernot Frenking",
year = "2009",
month = jan,
doi = "10.1080/00268970802680489",
language = "English",
volume = "107",
pages = "899--910",
journal = "Molecular Physics",
issn = "0026-8976",
publisher = "Taylor & Francis",
number = "8-12",

}

RIS

TY - JOUR

T1 - Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti)

AU - Davydova, Elena I.

AU - Timoshkin, Alexey Y.

AU - Sevastianova, Tatiana N.

AU - Suvorov, Andrey V.

AU - Frenking, Gernot

PY - 2009/1

Y1 - 2009/1

N2 - Structures and thermodynamic properties of amido and imido monomer and oligomer compounds as potential single-source precursors for group 14 nitrides have been obtained at the B3LYP/DZP level of theory. The thermodynamic analysis shows that Cl3MNH2 amido compounds are stable with respect to both HCl elimination and oligomerization processes. In contrast, Cl2MNH and ClMN species should undergo oligomerization. Formation of trimer compounds is more exothermic compared to the corresponding dimers. The M(IV) and M(II) cubanes are found to be the most promising precursors for group 14 nitrides: the ammonolysis reaction of cubanes is thermodynamically allowed in a wide temperature range for all M.

AB - Structures and thermodynamic properties of amido and imido monomer and oligomer compounds as potential single-source precursors for group 14 nitrides have been obtained at the B3LYP/DZP level of theory. The thermodynamic analysis shows that Cl3MNH2 amido compounds are stable with respect to both HCl elimination and oligomerization processes. In contrast, Cl2MNH and ClMN species should undergo oligomerization. Formation of trimer compounds is more exothermic compared to the corresponding dimers. The M(IV) and M(II) cubanes are found to be the most promising precursors for group 14 nitrides: the ammonolysis reaction of cubanes is thermodynamically allowed in a wide temperature range for all M.

KW - Cubanes

KW - Germanium

KW - Monomer

KW - Oligomer

KW - Silicon

KW - Tin

KW - Titanium

UR - http://www.scopus.com/inward/record.url?scp=68249155040&partnerID=8YFLogxK

U2 - 10.1080/00268970802680489

DO - 10.1080/00268970802680489

M3 - Article

AN - SCOPUS:68249155040

VL - 107

SP - 899

EP - 910

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 8-12

ER -

ID: 17372076