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Density Functional and Ab Initio Study of Cr(CO)n (n = 1−6) Complexes

✍ Scribed by Kim, Tae Kyu; Kim, Jangbae; Lee, Yoon Sup; Kim, Joonghan; Ihee, Hyotcherl


Book ID
111989048
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
139 KB
Volume
111
Category
Article
ISSN
1089-5639

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A theoretical research on the low-energy structures, binding energies, and Raman spectra of the (N 2 ) n (n ¼ 3-6) complexes has been systematically explored. Similar to the water trimer, the energetically lowest-lying structure of the nitrogen molecule trimer is a C 3h -symmetric cyclic structure.