volume 55 issue 3 pages 431-437

Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3)

Publication typeJournal Article
Publication date2014-05-01
scimago Q4
wos Q4
SJR0.211
CiteScore1.9
Impact factor1.4
ISSN00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
IR spectra of 1-germatranol, 1,1-quasi-germatrandiole, 1,1,1-hypogermatrantriole with a general formula (HO)4−n Ge(OCH2CH2) n NR3−n (n = 1–3) are obtained. At the B3LYP/aug-cc-pVDZ density functional level the equilibrium structures and vibrational spectra of these compounds along with their hydrogen-bonded dimers are calculated. Based on the calculations the band assignment is performed in the IR spectra of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole. The existence of dimers is manifested in the IR spectra as the absence of bands in the frequency ranges characteristic of the bending vibrations of Ge-OH groups and the presence of bands in the vibrational range of hydrogen-bonded germatranyl groups.
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Ignatev I. S. et al. Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3) // Journal of Structural Chemistry. 2014. Vol. 55. No. 3. pp. 431-437.
GOST all authors (up to 50) Copy
Ignatev I. S., Voronkov M. G., Kochina T. A., Samokhin G. S., Belyaeva V. V., Khaikin S. Ya. Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3) // Journal of Structural Chemistry. 2014. Vol. 55. No. 3. pp. 431-437.
RIS |
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TY - JOUR
DO - 10.1134/s0022476614030068
UR - https://doi.org/10.1134/s0022476614030068
TI - Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3)
T2 - Journal of Structural Chemistry
AU - Ignatev, I S
AU - Voronkov, M. G.
AU - Kochina, T. A.
AU - Samokhin, G S
AU - Belyaeva, V V
AU - Khaikin, S Ya
PY - 2014
DA - 2014/05/01
PB - Pleiades Publishing
SP - 431-437
IS - 3
VL - 55
SN - 0022-4766
SN - 1573-8779
ER -
BibTex |
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BibTex (up to 50 authors) Copy
@article{2014_Ignatev,
author = {I S Ignatev and M. G. Voronkov and T. A. Kochina and G S Samokhin and V V Belyaeva and S Ya Khaikin},
title = {Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3)},
journal = {Journal of Structural Chemistry},
year = {2014},
volume = {55},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1134/s0022476614030068},
number = {3},
pages = {431--437},
doi = {10.1134/s0022476614030068}
}
MLA
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MLA Copy
Ignatev, I. S., et al. “Vibrational spectra and electronic structure of 1-germatranol, 1,1-quasi-germatrandiole, and 1,1,1-hypogermatrantriole (HO)4−n Ge(OCH2CH2) n NR3−n (R = H, Me; n = 1–3).” Journal of Structural Chemistry, vol. 55, no. 3, May. 2014, pp. 431-437. https://doi.org/10.1134/s0022476614030068.