Russian Chemical Bulletin, volume 69, issue 11, pages 2067-2072
Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties
Publication type: Journal Article
Publication date: 2020-11-01
Journal:
Russian Chemical Bulletin
Quartile SCImago
Q3
Quartile WOS
Q3
Impact factor: 1.7
ISSN: 10665285, 15739171
General Chemistry
Abstract
The possibility for tetra-, hexa-, octa-, and decanitrogen to exist was analyzed using the QCISD(T)/TZVP and G4 quantum chemical calculations. The results obtained suggest the existence of only four allotropes of nitrogen whose molecules contain from four to eight atoms, viz., rectangular and tetrahedral N4, open-book N6, and cubic N8. The bond lengths and bond angles were calculated for all compounds, as well as selected thermodynamic parameters (standard enthalpy of formation ΔfHo, standard entropy of formation So, standard Gibbs energy of formation ΔfGo) of the compounds in the gas phase. The enthalpies and entropies of the oxidation reactions of each compound by molecular oxygen were calculated using the results of quantum chemical computations. All the oxidation reactions are highly exothermic and practically irreversible; therefore, the title allotropes of nitrogen may appear to be promising combustible materials.
Top-30
Citations by journals
|
1
2
|
|
|
International Journal of Molecular Sciences
2 publications, 40%
|
|
|
Quantum Reports
1 publication, 20%
|
|
|
Journal of Organic Chemistry
1 publication, 20%
|
|
|
Russian Chemical Reviews
1 publication, 20%
|
|
|
1
2
|
Citations by publishers
|
1
2
3
|
|
|
Multidisciplinary Digital Publishing Institute (MDPI)
3 publications, 60%
|
|
|
American Chemical Society (ACS)
1 publication, 20%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 20%
|
|
|
1
2
3
|
- We do not take into account publications 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":[2022,2023,2024],"ids":[0,0,0],"codes":[0,0,0],"imageUrls":["","",""],"datasets":[{"label":"Citations number","data":[2,2,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6"],"percentage":["40","40","20"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"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":["International Journal of Molecular Sciences","Quantum Reports","Journal of Organic Chemistry","Russian Chemical Reviews"],"ids":[14627,27728,8697,23802],"codes":[0,0,0,0],"imageUrls":["\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[2,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[40,20,20,20],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"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":["Multidisciplinary Digital Publishing Institute (MDPI)","American Chemical Society (ACS)","Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii"],"ids":[202,40,9422],"codes":[0,0,0],"imageUrls":["\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[3,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6"],"percentage":[60,20,20],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartiles":{"type":"bar","data":{"show":true,"labels":[2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0],"percentage":["0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0,0],"percentage":["0","0","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[0,1,0],"percentage":["0","20","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,1,1],"percentage":["40","20","20"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0,0],"percentage":["0","0","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by SCImago per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartilesWs":{"type":"bar","data":{"show":true,"labels":[2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0],"percentage":["0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0,0],"percentage":["0","0","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[0,0,0],"percentage":["0","0","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,1,1],"percentage":["40","20","20"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,1,0],"percentage":["0","20","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by WoS per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Chachkov D. V., Mikhailov O. Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties // Russian Chemical Bulletin. 2020. Vol. 69. No. 11. pp. 2067-2072.
GOST all authors (up to 50)
Copy
Chachkov D. V., Mikhailov O. Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties // Russian Chemical Bulletin. 2020. Vol. 69. No. 11. pp. 2067-2072.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1007/s11172-020-3001-6
UR - https://doi.org/10.1007/s11172-020-3001-6
TI - Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties
T2 - Russian Chemical Bulletin
AU - Chachkov, D V
AU - Mikhailov, O.V
PY - 2020
DA - 2020/11/01 00:00:00
PB - Springer Nature
SP - 2067-2072
IS - 11
VL - 69
SN - 1066-5285
SN - 1573-9171
ER -
Cite this
BibTex
Copy
@article{2020_Chachkov,
author = {D V Chachkov and O.V Mikhailov},
title = {Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties},
journal = {Russian Chemical Bulletin},
year = {2020},
volume = {69},
publisher = {Springer Nature},
month = {nov},
url = {https://doi.org/10.1007/s11172-020-3001-6},
number = {11},
pages = {2067--2072},
doi = {10.1007/s11172-020-3001-6}
}
Cite this
MLA
Copy
Chachkov, D. V., and O.V Mikhailov. “Tetra-, hexa-, and octanitrogen molecules: a quantum chemical design and thermodynamic properties.” Russian Chemical Bulletin, vol. 69, no. 11, Nov. 2020, pp. 2067-2072. https://doi.org/10.1007/s11172-020-3001-6.