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Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase
Тип публикации: Journal Article
Дата публикации: 2017-06-08
Включен в RSCI
scimago Q4
wos Q3
БС1
SJR: 0.193
CiteScore: 1.5
Impact factor: 1.2
ISSN: 19989539, 27131092
Organic Chemistry
Analytical Chemistry
Краткое описание
The molecular structures of gaseous zinc tetrakis(1,2,5-thiadiazolo)porphyrazine, [ZnTTDPz], and 1,2,5-thiadiazole3,4-dicarbonitrile, C4N4S, were studied by synchronous gas-phase electron diffraction and mass spectrometric experiment at T=587(5) °C in combination with quantum chemical calculations at theory level B3LYP/cc-pVTZ. The vapour over the sample at the temperature of experiment contained molecules of complex [ZnTTDPz] and 1,2,5-thiadiazole-3,4dicarbonitrile (C4N4S) having the molecular symmetry D4h and C2v, respectively. In contrast to the crystal structure, where Zn atom is displaced out of plane of the coordination moiety, the gaseous molecule [ZnTTDPz] has a planar structure. Geometry of the dinitrile C4N4S in the gas phase do not differ strongly from that in a crystal.
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Tverdova N. V. et al. Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase // Macroheterocycles. 2017. Vol. 10. No. 1. pp. 27-30.
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Tverdova N. V., Giricheva N. I., Savelyev D. S., Mikhailov M. S., Vogt N., Koifman O. I., Stuzhin P. A., Girichev G. V. Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase // Macroheterocycles. 2017. Vol. 10. No. 1. pp. 27-30.
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TY - JOUR
DO - 10.6060/mhc170399g
UR - https://doi.org/10.6060/mhc170399g
TI - Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase
T2 - Macroheterocycles
AU - Tverdova, Natalia V
AU - Giricheva, Nina I.
AU - Savelyev, Denis S
AU - Mikhailov, Maksim S
AU - Vogt, Natalja
AU - Koifman, Oscar I.
AU - Stuzhin, Pavel A.
AU - Girichev, Georgiy V.
PY - 2017
DA - 2017/06/08
PB - Ivanovo State University of Chemistry and Technology
SP - 27-30
IS - 1
VL - 10
SN - 1998-9539
SN - 2713-1092
ER -
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@article{2017_Tverdova,
author = {Natalia V Tverdova and Nina I. Giricheva and Denis S Savelyev and Maksim S Mikhailov and Natalja Vogt and Oscar I. Koifman and Pavel A. Stuzhin and Georgiy V. Girichev},
title = {Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase},
journal = {Macroheterocycles},
year = {2017},
volume = {10},
publisher = {Ivanovo State University of Chemistry and Technology},
month = {jun},
url = {https://doi.org/10.6060/mhc170399g},
number = {1},
pages = {27--30},
doi = {10.6060/mhc170399g}
}
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Tverdova, Natalia V., et al. “Molecular structure of tetrakis(1,2,5-thiadiazolo)- porphyrazinatozinc(II) in gaseous phase.” Macroheterocycles, vol. 10, no. 1, Jun. 2017, pp. 27-30. https://doi.org/10.6060/mhc170399g.
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