Journal of Structural Chemistry, volume 55, issue 3, pages 418-423
Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method
Publication type: Journal Article
Publication date: 2014-05-01
Journal:
Journal of Structural Chemistry
Quartile SCImago
Q4
Quartile WOS
Q4
Impact factor: 0.8
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
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.
Citations by journals
|
1
2
3
|
|
|
Journal of Luminescence
|
Journal of Luminescence
3 publications, 30%
|
|
Sensors and Actuators, B: Chemical
|
Sensors and Actuators, B: Chemical
1 publication, 10%
|
|
Journal of Fluorescence
|
Journal of Fluorescence
1 publication, 10%
|
|
Molecular Physics
|
Molecular Physics
1 publication, 10%
|
|
Journal of Molecular Liquids
|
Journal of Molecular Liquids
1 publication, 10%
|
|
Chemical Physics Letters
|
Chemical Physics Letters
1 publication, 10%
|
|
Journal of Structural Chemistry
|
Journal of Structural Chemistry
1 publication, 10%
|
|
International Journal of Molecular Sciences
|
International Journal of Molecular Sciences
1 publication, 10%
|
|
1
2
3
|
Citations by publishers
|
1
2
3
4
5
6
|
|
|
Elsevier
|
Elsevier
6 publications, 60%
|
|
Springer Nature
|
Springer Nature
1 publication, 10%
|
|
Taylor & Francis
|
Taylor & Francis
1 publication, 10%
|
|
Pleiades Publishing
|
Pleiades Publishing
1 publication, 10%
|
|
Multidisciplinary Digital Publishing Institute (MDPI)
|
Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 10%
|
|
1
2
3
4
5
6
|
- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2015,2016,2017,2018,2019,2020,2021,2022],"ids":[0,0,0,0,0,0,0,0],"codes":[0,0,0,0,0,0,0,0],"imageUrls":["","","","","","","",""],"datasets":[{"label":"Citations number","data":[2,2,4,0,0,0,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":["20","20","40",0,0,0,"10","10"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Journal of Luminescence","Sensors and Actuators, B: Chemical","Journal of Fluorescence","Molecular Physics","Journal of Molecular Liquids","Chemical Physics Letters","Journal of Structural Chemistry","International Journal of Molecular Sciences"],"ids":[7075,22419,21006,22688,13597,5579,14105,14627],"codes":[0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp"],"datasets":[{"label":"","data":[3,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[30,10,10,10,10,10,10,10],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["Elsevier","Springer Nature","Taylor & Francis","Pleiades Publishing","Multidisciplinary Digital Publishing Institute (MDPI)"],"ids":[17,8,18,101,202],"codes":[0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/oZgeErrVFhuDksyqFURLvYS1wtVSBWczh001igGo_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp"],"datasets":[{"label":"","data":[6,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[60,10,10,10,10],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Metrics
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
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. 2014. Vol. 55. No. 3. pp. 418-423.
GOST all authors (up to 50)
Copy
Ksenofontov A. A., Guseva G. B., Antina E. V., Vyugin A. I. Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method // Journal of Structural Chemistry. 2014. Vol. 55. No. 3. pp. 418-423.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1134/S0022476614030044
UR - https://doi.org/10.1134%2FS0022476614030044
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 - Vyugin, A I
AU - Guseva, G B
AU - Antina, E V
PY - 2014
DA - 2014/05/01 00:00:00
PB - Pleiades Publishing
SP - 418-423
IS - 3
VL - 55
SN - 0022-4766
SN - 1573-8779
ER -
Cite this
BibTex
Copy
@article{2014_Ksenofontov,
author = {A A Ksenofontov and A I Vyugin and G B Guseva and E V Antina},
title = {Molecular structure of bis(dipyrrolylmethanates) of d-metals according to the quantum chemical calculations by the PM6 method},
journal = {Journal of Structural Chemistry},
year = {2014},
volume = {55},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1134%2FS0022476614030044},
number = {3},
pages = {418--423},
doi = {10.1134/S0022476614030044}
}
Cite this
MLA
Copy
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. 418-423. https://doi.org/10.1134%2FS0022476614030044.