Cooperative effects in polymolecular nitrogen clusters

• Published in: Russian chemical bulletin Vol. 57; no. 10; pp. 2037 - 2044
• Main Authors: Gribanova, T. N., Milov, A. A., Starikov, A. G., Gapurenko, O. A., Gurashvili, V. A., Minyaev, R. M., Minkin, V. I.
• Format: Journal Article
• Language: English
• Published: Boston Springer US 01.10.2008
• Subjects: Chemistry; Chemistry and Materials Science; Chemistry/Food Science; Full Articles; Inorganic Chemistry; Organic Chemistry; CCSD(full)/6–311+G method; quantum chemical calculations; nonbonded interactions, cooperative effects; MP2(full)/6–311+G method; nitrogen clusters

The structures and stabilities of the van der Waals clusters (N 2 ) n ( n = 2–8) have been evaluated using ab initio calculations at the MP2(full)/6–311+G* and CCSD(full)/6–311+G* level of theory. At n = 2–4, the formation of planar and three-dimensional structures is possible. At n > 4, only “gl...