Molecular Structure of Tetrakis(1,2,5-thiadiazolo)-porphyrazinatozinc(II) in Gaseous Phase

Natalia V. Tverdova,^a Nina I. Giricheva,^bDenis S. Savelyev,^a Maksim S. Mikhailov,^a Natalja Vogt,^c
Oscar I. Koifman,^a Pavel A. Stuzhin,^a and Georgiy V. Girichev^a@

^aIvanovo State University of Chemistry and Technology, 153000 Ivanovo, Russia

^bIvanovo State University, 153025 Ivanovo, Russia

^cUniversity of Ulm, 89069 Ulm, Germany

^@Corresponding author E-mail: girichev@isuct.ru

DOI: 10.6060/mhc170399g

Macroheterocycles 2017 10(1) 27-30

The molecular structures of gaseous zinc tetrakis(1,2,5-thiadiazolo)porphyrazine, [ZnTTDPz], and 1,2,5-thiadiazole-3,4-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-3,4-dicarbonitrile (C₄N₄S) having the molecular symmetry D_4h and C_2v, 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.

References:

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1. Donzello M.P., Ercolani C., Stuzhin P.A. Coord. Chem. Rev. 2006, 250, 1530–1561.
https://doi.org/10.1016/j.ccr.2006.02.009

2. (a) Donzello M.P., Agostinetto R., Ivanova S.S., Fujimori M., Suzuki Y., Yoshikawa H., Shen J., Awaga K., Ercolani C., Kadish K.M., Stuzhin P.A. Inorg. Chem. 2005, 44, 8539;
https://doi.org/10.1021/ic050866b
(b) Donzello M.P., Ercolani C., Cai X., Kadish K.M., Ricciardi G., Rosa A. Inorg. Chem. 2009, 48, 9890–9903;
https://doi.org/10.1021/ic9014288
(c) Donzello M.P., Fujimori M., Miyoshi Y., Yoshikawa H., Viola E., Awaga K., Ercolani C. J. Porphyrins Phthalocyanines 2010, 14, 343–348;
https://doi.org/10.1142/S1088424610002082
(d) Donzello M.P., Viola E., Giustini M., Ercolani C., Monacelli F. Dalton Transactions 2012, 41, 6112–6121.
https://doi.org/10.1039/c2dt12381a

3. (a) Stuzhin P.A., Mikhailov M.S., Yurina E.S., Bazanov M.I., Koifman O.I., Pakhomov G.L., Travkin V.V., Sinelshchikova A.A. Chem. Comm. 2012, 48, 10135–10137;
https://doi.org/10.1039/c2cc35580a
(b) Hamdoush M., Ivanova S.S., Pakhomov G.L., Stuzhin P.A. Macroheterocycles 2016, 9, 230–233.
https://doi.org/10.6060/mhc160424s

4. (a) Fujimoto T., Miyoshi Y., Matsushita M.M., Awaga K. Chem. Commun. 2011, 5837;
https://doi.org/10.1039/c0cc05198e
(b) Miyoshi Y., Fujimoto T., Yoshikawa H., Matsushita M., Awaga K., Yamada T., Ito H. Organ. Electron. 2011, 12, 239;
https://doi.org/10.1016/j.orgel.2010.11.005
(c) Miyoshi Y., Takahashi K., Fujimoto T., Yoshikawa H., Matsushita M.M., Ouchi Y., Kepenekian M., Robert V., Donzello M.P., Ercolani C., Awaga K. Inorg. Chem. 2012, 51, 456−462.
https://doi.org/10.1021/ic201880g

5. (a) Stuzhin P.A., Mikhailov M.S., Travkin V.V., Gudkov E.Y., Pakhomov G.L. Macroheterocycles 2012, 5, 162–165;
https://doi.org/10.6060/mhc2012.120573p
(b) Stuzhin P.A., Mikhailov M.S., Travkin V.V., Pakhomov G.L. In: Recent Developments in Coordination, Bioinorganic, and Applied Inorganic Chemistry (Melnik M., Segl'a P., Tatarko M., Edrs.). Bratislava, Press of Slovak University of Technology, 2013. Vol. 11, pp. 318–323. https://doi.org/10.13140/2.1.2341.3761.

6. (a) Fujimori M., Suzuki Y., Yoshikawa H., Awaga K. Angew. Chem. 2003, 115, 6043;
https://doi.org/10.1002/ange.200352571
(b) Suzuki Y., Fujimori M., Yoshikawa H., Awaga K. Chem. – Eur. J. 2004, 10, 5158–5164.
https://doi.org/10.1002/chem.200400394

7. Donzello M.P., Ercolani C., Kadish K.M., Ricciardi G., Rosa A., Stuzhin P.A. Inorg. Chem. 2007, 46, 4145–4157.
https://doi.org/10.1021/ic070038d

8. (a) Girichev G.V., Utkin A.N., Revichev Yu.F. Prib. Tekh. Eksp. 1984, 2, 187;
(b) Girichev G.V., Shlykov S.A., Revichev Yu.F. Prib. Tekh. Eksp. 1986, 4, 167.

9. Girichev G.V., Shlykov S.A., Petrova V.N., Subbotina N.Yu., Lapshina S.B., Danilova T.G. Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol. 1988, 31(8), 46 (in Russ.).

10. Bauer E.M., Cardarilli D., Ercolani C., Stuzhin P.A., Russo U. Inorg. Chem. 1999, 38, 6114–6120.
https://doi.org/10.1021/ic990855g

11. Eley D.D., Hazeldine D.J., Palmer T.F. J. Chem. Soc. Faraday Trans. 2 1973, 69, 1808–1814.
https://doi.org/10.1039/f29736901808

12. Frisch M.J. Gaussian 03 Revision B04 Gaussian Inc Pittsburgh PA (2003).

13. Suturina E.A., Semenov N.A., Lonchakov A.V., Bagryanskaya I.Yu., Gatilov Y.V., Irtegova I.G., Vasilieva N.V., Lork E., Mews R., Gritsan N.P., Zibarev A.V. J. Phys. Chem. A 2011, 115, 4851.
https://doi.org/10.1021/jp2019523

14. Strenalyuk T., Samdal S., Volden H.V. J. Phys. Chem. A 2007, 111, 12011.
https://doi.org/10.1021/jp074455n

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Molecular Structure of Tetrakis(1,2,5-thiadiazolo)-porphyrazinatozinc(II) in Gaseous Phase

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