DC Field | Value | Language |
---|---|---|
dc.contributor.author | Fullmer, Benjamin C. | ko |
dc.contributor.author | Pink, Maren | ko |
dc.contributor.author | Fan, Hongjun | ko |
dc.contributor.author | Yang, Xiaofan | ko |
dc.contributor.author | Baik, Mu-Hyun | ko |
dc.contributor.author | Caulton, Kenneth G. | ko |
dc.date.accessioned | 2016-04-12T07:39:53Z | - |
dc.date.available | 2016-04-12T07:39:53Z | - |
dc.date.created | 2015-09-11 | - |
dc.date.created | 2015-09-11 | - |
dc.date.issued | 2008-05 | - |
dc.identifier.citation | INORGANIC CHEMISTRY, v.47, no.9, pp.3888 - 3892 | - |
dc.identifier.issn | 0020-1669 | - |
dc.identifier.uri | http://hdl.handle.net/10203/203328 | - |
dc.description.abstract | Reaction of a (PNP)Ni radical with NO finishes in the time of mixing to form a 1:1 adduct with a NO stretching frequency of 1654 cm(-1). NMR data of this diamagnetic product indicate C-2v symmetry, which is contradicted by the X-ray structure, which shows it to be nonplanar at Ni, with a geometry intermediate between planar and tetrahedral; the planar geometry is thus the transition state for fluxionality giving time-averaged C, symmetry. The X-ray structure, together with DFT calculations, reveals that the "half-bent" NiNO unit and the intermediate coordination geometry result from a Ni NO charge transfer, which has a nonintegral value, resulting in a continuum between NO+ (hence Ni-0) and NO- (hence Ni-II). This is related to the nonaxially symmetric character of the Ni -> NO back-donation caused by the (PNP) environment on Ni. Steric effects of Bu-t and even chelate constraints are ruled out as the cause of the unusual electronic and structural features. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | 4-COORDINATE METAL NITROSYLS | - |
dc.subject | EFFECTIVE CORE POTENTIALS | - |
dc.subject | MOLECULAR CALCULATIONS | - |
dc.subject | NITRIC-OXIDE | - |
dc.subject | COMPLEXES | - |
dc.subject | DENSITY | - |
dc.subject | NICKEL | - |
dc.subject | REACTIVITY | - |
dc.subject | EXCHANGE | - |
dc.title | The effect of one valence electron: Contrasting (PNP)Ni(CO) with (PNP)Ni(NO) to understand the half-bent NINO unit | - |
dc.type | Article | - |
dc.identifier.wosid | 000255380500054 | - |
dc.identifier.scopusid | 2-s2.0-44149112067 | - |
dc.type.rims | ART | - |
dc.citation.volume | 47 | - |
dc.citation.issue | 9 | - |
dc.citation.beginningpage | 3888 | - |
dc.citation.endingpage | 3892 | - |
dc.citation.publicationname | INORGANIC CHEMISTRY | - |
dc.identifier.doi | 10.1021/ic702503m | - |
dc.contributor.localauthor | Baik, Mu-Hyun | - |
dc.contributor.nonIdAuthor | Fullmer, Benjamin C. | - |
dc.contributor.nonIdAuthor | Pink, Maren | - |
dc.contributor.nonIdAuthor | Fan, Hongjun | - |
dc.contributor.nonIdAuthor | Yang, Xiaofan | - |
dc.contributor.nonIdAuthor | Caulton, Kenneth G. | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | 4-COORDINATE METAL NITROSYLS | - |
dc.subject.keywordPlus | EFFECTIVE CORE POTENTIALS | - |
dc.subject.keywordPlus | MOLECULAR CALCULATIONS | - |
dc.subject.keywordPlus | NITRIC-OXIDE | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | DENSITY | - |
dc.subject.keywordPlus | NICKEL | - |
dc.subject.keywordPlus | REACTIVITY | - |
dc.subject.keywordPlus | EXCHANGE | - |
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