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)
I S Ignatev
1
,
M. G. Voronkov
2, 3
,
T. A. Kochina
2
,
G S Samokhin
2
,
V V Belyaeva
3
,
S Ya Khaikin
4
2
Publication type: Journal Article
Publication date: 2014-05-01
scimago Q4
wos Q4
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 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.
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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.
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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 -
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@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}
}
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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.