Primary decomposition mechanism of cobalt(III) nitrotetrazolatoammine complexes
Results of quantum-chemical simulation of isolated molecules of (5-nitrotetrazolato- N 2 )pentaaminecobalt(III) perchlorate, cis -bis(5-nitrotetrazolato- N 2 )tetraamminecobalt(III) perchlorate, and possible products of the primary stage of their decomposition are presented. Molecular properties of...
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| Veröffentlicht in: | Russian journal of general chemistry 2017-02, Vol.87 (2), p.286-292 |
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| container_title | Russian journal of general chemistry |
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| creator | Golubev, V. K. Ilyushin, M. A. |
| description | Results of quantum-chemical simulation of isolated molecules of (5-nitrotetrazolato-
N
2
)pentaaminecobalt(III) perchlorate,
cis
-bis(5-nitrotetrazolato-
N
2
)tetraamminecobalt(III) perchlorate, and possible products of the primary stage of their decomposition are presented. Molecular properties of the considered molecules and fragments have been determined, and their infrared spectra have been simulated. The major pathway of primary stage of the complexes decomposition is the separation of an ammonia molecule accompanied by rearrangement of the residual fragment. The activation and dissociation energies have been determined. |
| doi_str_mv | 10.1134/S1070363217020220 |
| format | Article |
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N
2
)pentaaminecobalt(III) perchlorate,
cis
-bis(5-nitrotetrazolato-
N
2
)tetraamminecobalt(III) perchlorate, and possible products of the primary stage of their decomposition are presented. Molecular properties of the considered molecules and fragments have been determined, and their infrared spectra have been simulated. The major pathway of primary stage of the complexes decomposition is the separation of an ammonia molecule accompanied by rearrangement of the residual fragment. The activation and dissociation energies have been determined.</description><identifier>ISSN: 1070-3632</identifier><identifier>EISSN: 1608-3350</identifier><identifier>DOI: 10.1134/S1070363217020220</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Ammonia ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Decomposition ; Fragments ; Infrared spectra ; Quantum chemistry</subject><ispartof>Russian journal of general chemistry, 2017-02, Vol.87 (2), p.286-292</ispartof><rights>Pleiades Publishing, Ltd. 2017</rights><rights>Copyright Springer Science & Business Media 2017</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-a1314a1e866ae5843bac9b71d696836431638daefe57687cc4f1608d8d2828313</citedby><cites>FETCH-LOGICAL-c316t-a1314a1e866ae5843bac9b71d696836431638daefe57687cc4f1608d8d2828313</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S1070363217020220$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S1070363217020220$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27922,27923,41486,42555,51317</link.rule.ids></links><search><creatorcontrib>Golubev, V. K.</creatorcontrib><creatorcontrib>Ilyushin, M. A.</creatorcontrib><title>Primary decomposition mechanism of cobalt(III) nitrotetrazolatoammine complexes</title><title>Russian journal of general chemistry</title><addtitle>Russ J Gen Chem</addtitle><description>Results of quantum-chemical simulation of isolated molecules of (5-nitrotetrazolato-
N
2
)pentaaminecobalt(III) perchlorate,
cis
-bis(5-nitrotetrazolato-
N
2
)tetraamminecobalt(III) perchlorate, and possible products of the primary stage of their decomposition are presented. Molecular properties of the considered molecules and fragments have been determined, and their infrared spectra have been simulated. The major pathway of primary stage of the complexes decomposition is the separation of an ammonia molecule accompanied by rearrangement of the residual fragment. The activation and dissociation energies have been determined.</description><subject>Ammonia</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Decomposition</subject><subject>Fragments</subject><subject>Infrared spectra</subject><subject>Quantum chemistry</subject><issn>1070-3632</issn><issn>1608-3350</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNp1kM1LxDAQxYMouH78Ad4KXvRQnUnaNHuUxY_CwgrquWTTqXZpmzXJgvrXm1IPgniagfm9N7zH2BnCFaLIrp8QChBScCyAA-ewx2YoQaVC5LAf93hOx_shO_J-A4AAks_Y6tG1vXafSU3G9lvr29DaIenJvOmh9X1im8TYte7CRVmWl8nQBmcDBae_bKeD1X3fDpSM2o4-yJ-wg0Z3nk5_5jF7ubt9Xjyky9V9ubhZpkagDKlGgZlGUlJqylUm1trM1wXWci6VkFmEhKo1NZQXUhXGZM2YplY1V1wJFMfsfPLdOvu-Ix-qjd25Ib6sUKmcS8W5iBROlHHWe0dNtZ3iVgjV2Fv1p7eo4ZPGR3Z4JffL-V_RN1nEboQ</recordid><startdate>20170201</startdate><enddate>20170201</enddate><creator>Golubev, V. K.</creator><creator>Ilyushin, M. A.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20170201</creationdate><title>Primary decomposition mechanism of cobalt(III) nitrotetrazolatoammine complexes</title><author>Golubev, V. K. ; Ilyushin, M. A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-a1314a1e866ae5843bac9b71d696836431638daefe57687cc4f1608d8d2828313</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Ammonia</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Decomposition</topic><topic>Fragments</topic><topic>Infrared spectra</topic><topic>Quantum chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Golubev, V. K.</creatorcontrib><creatorcontrib>Ilyushin, M. A.</creatorcontrib><collection>CrossRef</collection><jtitle>Russian journal of general chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Golubev, V. K.</au><au>Ilyushin, M. A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Primary decomposition mechanism of cobalt(III) nitrotetrazolatoammine complexes</atitle><jtitle>Russian journal of general chemistry</jtitle><stitle>Russ J Gen Chem</stitle><date>2017-02-01</date><risdate>2017</risdate><volume>87</volume><issue>2</issue><spage>286</spage><epage>292</epage><pages>286-292</pages><issn>1070-3632</issn><eissn>1608-3350</eissn><abstract>Results of quantum-chemical simulation of isolated molecules of (5-nitrotetrazolato-
N
2
)pentaaminecobalt(III) perchlorate,
cis
-bis(5-nitrotetrazolato-
N
2
)tetraamminecobalt(III) perchlorate, and possible products of the primary stage of their decomposition are presented. Molecular properties of the considered molecules and fragments have been determined, and their infrared spectra have been simulated. The major pathway of primary stage of the complexes decomposition is the separation of an ammonia molecule accompanied by rearrangement of the residual fragment. The activation and dissociation energies have been determined.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S1070363217020220</doi><tpages>7</tpages></addata></record> |
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| subjects | Ammonia Chemistry Chemistry and Materials Science Chemistry/Food Science Decomposition Fragments Infrared spectra Quantum chemistry |
| title | Primary decomposition mechanism of cobalt(III) nitrotetrazolatoammine complexes |
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