Source:http://linkedlifedata.com/resource/pubmed/id/15515085
| Subject | Predicate | Object | Context |
|---|---|---|---|
| pubmed-article:15515085 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C0205102 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C0237753 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C0024460 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C0808080 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C0020276 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C1720867 | lld:lifeskim |
| pubmed-article:15515085 | lifeskim:mentions | umls-concept:C1705922 | lld:lifeskim |
| pubmed-article:15515085 | pubmed:issue | 23 | lld:pubmed |
| pubmed-article:15515085 | pubmed:dateCreated | 2004-11-30 | lld:pubmed |
| pubmed-article:15515085 | pubmed:abstractText | Electrospray ionization mass spectrometry (ESI-MS) is found to gently and efficiently transfer small to large as well as singly to multiply charged [X+]n[A-]m supramolecules of imidazolium ion (X+) ionic liquids to the gas phase, and to reveal "magic numbers" for their most favored assemblies. Tandem mass spectrometric experiments (ESI-MS/MS) were then used to dissociate, via low-energy collision activation, mixed and loosely bonded [A- - - -X- - - -A']- and [X- - - -A- - - -X']+ gaseous supramolecules, as well as their higher homologues, and to estimate and order via Cooks' kinetic method (CKM) and B3LYP/6-311G(d,p) calculations the intrinsic solvent-free magnitude of hydrogen bonds. For the five anions studied, the relative order of intrinsic hydrogen-bond strengths to the 1-n-butyl-3-methylimidazolium ion [X1]+ is: CF3CO2- (zero) > BF4- (-3.1) > PF6- (-10.0) > InCl4- (-16.4) and BPh4- (-17.6 kcal mol(-1)). The relative hydrogen-bond strength for InCl4- was measured via CKM whereas those for the other anions were calculated and used as CKM references. A good correlation coefficient (R=0.998) between fragment ion ratios and calculated hydrogen-bond strengths and an effective temperature (Teff) of 430 K demonstrate the CKM reliability for measuring hydrogen-bond strengths in gaseous ionic liquid supramolecules. Using CKM and Teff of 430 K, the intrinsic hydrogen-bond strengths of BF4- for the three cations investigated is: 1-n-butyl-3-methyl-imidazolium ion (0) > 1,3-di-[(R)-3-methyl-2-butyl]-imidazolium ion (-2.4) > 1,3-di-[(R)-alpha-methylbenzyl]-imidazolium ion (-3.0 kcal mol(-1)). As evidenced by "magic" numbers, greater stabilities are found for the [(X1)2(BF4)3]- and [(X1)5A4]+ supramolecules (A not equal InCl4-). | lld:pubmed |
| pubmed-article:15515085 | pubmed:language | eng | lld:pubmed |
| pubmed-article:15515085 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:15515085 | pubmed:status | PubMed-not-MEDLINE | lld:pubmed |
| pubmed-article:15515085 | pubmed:month | Nov | lld:pubmed |
| pubmed-article:15515085 | pubmed:issn | 0947-6539 | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:EberlinMarcos... | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:DupontJairton... | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:AugustiRodine... | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:GozzoFabio... | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:ConsortiCrest... | lld:pubmed |
| pubmed-article:15515085 | pubmed:author | pubmed-author:SantosLeonard... | lld:pubmed |
| pubmed-article:15515085 | pubmed:issnType | lld:pubmed | |
| pubmed-article:15515085 | pubmed:day | 19 | lld:pubmed |
| pubmed-article:15515085 | pubmed:volume | 10 | lld:pubmed |
| pubmed-article:15515085 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:15515085 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:15515085 | pubmed:pagination | 6187-93 | lld:pubmed |
| pubmed-article:15515085 | pubmed:dateRevised | 2009-8-4 | lld:pubmed |
| pubmed-article:15515085 | pubmed:year | 2004 | lld:pubmed |
| pubmed-article:15515085 | pubmed:articleTitle | Gaseous supramolecules of imidazolium ionic liquids: "magic" numbers and intrinsic strengths of hydrogen bonds. | lld:pubmed |
| pubmed-article:15515085 | pubmed:affiliation | Thomson Mass Spectrometry Laboratory, Institute of Chemistry, State University of Campinas, UNICAMP, 13083-970 Campinas, SP, Brazil. | lld:pubmed |
| pubmed-article:15515085 | pubmed:publicationType | Journal Article | lld:pubmed |