Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge).: The problem of the theoretical prediction of condensed phase spectra

Igor S. Ignatyev; Tom Sundius

doi:10.1016/j.saa.2012.04.037

Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge). The problem of the theoretical prediction of condensed phase spectra

Igor S. Ignatyev, Tom Sundius

Department of Physics

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

Original language	English
Journal	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume	95
Pages (from-to)	37-45
Number of pages	9
ISSN	1386-1425
DOIs	https://doi.org/10.1016/j.saa.2012.04.037
Publication status	Published - 2012
MoE publication type	A1 Journal article-refereed

Fields of Science

Silatranes
Germatranes
Vibrational spectra
DFT calculations
SQM method
AB-INITIO
MOLECULAR-STRUCTURE
FORCE-FIELDS
TRANSANNULAR INTERACTION
ELECTRON-DIFFRACTION
DATIVE BOND
DENSITY
1-FLUOROSILATRANE
ANALOGS
ATRANES
114 Physical sciences

Access to Document

10.1016/j.saa.2012.04.037

Cite this

@article{c4c9052d0c894fe8b04774e9240b9fb6,

title = "Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge).: The problem of the theoretical prediction of condensed phase spectra",

keywords = "Silatranes, Germatranes, Vibrational spectra, DFT calculations, SQM method, AB-INITIO, MOLECULAR-STRUCTURE, FORCE-FIELDS, TRANSANNULAR INTERACTION, ELECTRON-DIFFRACTION, DATIVE BOND, DENSITY, 1-FLUOROSILATRANE, ANALOGS, ATRANES, 114 Physical sciences",

author = "Ignatyev, {Igor S.} and Tom Sundius",

year = "2012",

doi = "10.1016/j.saa.2012.04.037",

language = "English",

volume = "95",

pages = "37--45",

journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",

issn = "1386-1425",

publisher = "Elsevier B.V.",

}

Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge). The problem of the theoretical prediction of condensed phase spectra. / Ignatyev, Igor S.; Sundius, Tom.
In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 95, 2012, p. 37-45.

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

TY - JOUR

T1 - Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge).

T2 - The problem of the theoretical prediction of condensed phase spectra

AU - Ignatyev, Igor S.

AU - Sundius, Tom

PY - 2012

Y1 - 2012

KW - Silatranes

KW - Germatranes

KW - Vibrational spectra

KW - DFT calculations

KW - SQM method

KW - AB-INITIO

KW - MOLECULAR-STRUCTURE

KW - FORCE-FIELDS

KW - TRANSANNULAR INTERACTION

KW - ELECTRON-DIFFRACTION

KW - DATIVE BOND

KW - DENSITY

KW - 1-FLUOROSILATRANE

KW - ANALOGS

KW - ATRANES

KW - 114 Physical sciences

U2 - 10.1016/j.saa.2012.04.037

DO - 10.1016/j.saa.2012.04.037

M3 - Article

SN - 1386-1425

VL - 95

SP - 37

EP - 45

JO - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

ER -