This is a preview of subscription content, log in via an institution to check access.
Literature cited
A. S. Tarasevich and Yu. P. Egorov, “Quantum-chemical interpretation of dimerization of phosphazo compounds,” Teor. Eksp. Khim., 13, No. 6, 809–811 (1977).
V. G. Maslov, “Program for CNDO calculation of molecular systems including up to 232 orbitals,” Zh. Strukt. Khim., 18, No. 2, 414–415 (1977).
A. M. Nesterenko and V. G. Maslov, “Programs for optimization of geometry of molecules in basis of up to 232 orbitals in the CNDO/2 and INDO approximations,” in: Summaries of Papers, 5th All-Union Conference “Use of Computers in Spectroscopy of Molecules and in Chemical Research,” Novosibirsk, September 9–15, (1980) [in Russian], Novosibirsk 1980, p. 154.
P. Scharfenberg, “Eine Variante der CNDO-Verfarens unter Einbeziehung von d-Funktionen,” Theor. Chim. Acta, 49, No. 2, 115–122 (1978).
A. Almenningen, B. Andersen, and E. E. Astrup, “An electron diffraction investigation of the molecular structure of fluoro-N,N-dimethyl-1,2,3,4-diazadiphosphetidine, (F3PNCH3)2, in vapor phase,” Acta. Chem. Scand., 23, No. 6, 2179–2180 (1969).
M. E. Hewlins, “Crystal structure of p-bromophenylimino(triphenyl)-phosphorane,” J.Chem. Soc. B, No. 5, 942–945 (1975).
J. C. Adamson and J. C. Bart, “Crystal and molecular structure of diphenylfluoro-N-methyl-phosphine imide,” J. Chem. Soc. A, No. 9, 1452–1456 (1970).
I. N. Zhmurova and A. V. Kirsanov, “Trichlorophosphazoaryls,” Zh. Obshch. Khim., 30, No. 9, 3044–3054 (1960).
R. B. Woodward and R. W. Hoffman, The Conservation of Orbital Symmetry, Verlag Chemie, Weinheim/Bergstr. (1970).
Author information
Authors and Affiliations
Additional information
Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 18, No. 5, pp. 525–530, September–October, 1982.
The authors wish to express their appreciation to V. V. Penkovskii for assistance in this work, and to Yu. P. Egorov for his steady interest in the work.
Rights and permissions
About this article
Cite this article
Tarasevich, A.S., Nesterenko, A.M. & Boldeskul, I.E. Investigation of dimerization of phosphazo compounds by the CNDO/2 method with optimization of geometry. Theor Exp Chem 18, 475–479 (1983). https://doi.org/10.1007/BF00516883
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00516883