Journal of Structural Chemistry, издание 55, том 3, номера страниц: 418-423

Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method

Тип публикации: Journal Article
Дата публикации: 2014-05-01
Pleiades Publishing
Pleiades Publishing
Журнал:  Journal of Structural Chemistry
Квартиль SCImago: Q4
Квартиль WOS: Q4
Impact factor: 0.8
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Краткое описание
Quantum chemical calculations of the molecular structure of bis(dipyrrolylmethanates) of cobalt(II), nickel(II), copper(II), zinc(II), cadmium(II), and mercury(II) of the composition [M2L2] are performed using the PM6 method within the Gaussian 09W program package. The lengths of M-N coordination bonds, the values of dihedral angles formed by N-M-N bonds, the distances l M⋯M between the M⋯M atoms are optimized. It is noted that the regularities obtained from the analysis of the results of quantum chemical calculations of the molecular structure of [M2L2] helicates reliably reflect the main trends of changes in their physicochemical properties depending on the nature of a complexing agent and the features of the ligand structure.
По дате По цитируемости
По дате По цитируемости
Метрики
Поделиться
Цитировать
ГОСТ |
Цитировать
ГОСТ Копировать
1. Ksenofontov A. A. и др. Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method // Journal of Structural Chemistry. 2014. Т. 55. № 3. С. 418–423.
RIS |
Цитировать
RIS Копировать

TY - JOUR

DO - 10.1134/s0022476614030044

UR - http://dx.doi.org/10.1134/S0022476614030044

TI - Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method

T2 - Journal of Structural Chemistry

AU - Ksenofontov, A. A.

AU - Guseva, G. B.

AU - Antina, E. V.

AU - V’yugin, A. I.

PY - 2014

DA - 2014/05

PB - Pleiades Publishing Ltd

SP - 418-423

IS - 3

VL - 55

SN - 0022-4766

SN - 1573-8779

ER -

BibTex |
Цитировать
BibTex Копировать

@article{Ksenofontov_2014,

doi = {10.1134/s0022476614030044},

url = {https://doi.org/10.1134%2Fs0022476614030044},

year = 2014,

month = {may},

publisher = {Pleiades Publishing Ltd},

volume = {55},

number = {3},

pages = {418--423},

author = {A. A. Ksenofontov and G. B. Guseva and E. V. Antina and A. I. V'yugin},

title = {Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the {PM}6 method},

journal = {Journal of Structural Chemistry}

}

MLA
Цитировать
MLA Копировать
Ksenofontov, A. A., et al. “Molecular Structure of Bis(Dipyrrolylmethanates) of d-Metals According to the Quantum Chemical Calculations by the PM6 Method.” Journal of Structural Chemistry, vol. 55, no. 3, May 2014, pp. 418–23. Crossref, https://doi.org/10.1134/s0022476614030044.