Experimental and theoretical NMR study of 4-(1-pyrrolidinyl)piperidine
| dc.contributor.author | Alver Ö. | |
| dc.contributor.author | Parlak C. | |
| dc.contributor.author | Bilge M. | |
| dc.date.accessioned | 2019-10-26T21:58:33Z | |
| dc.date.available | 2019-10-26T21:58:33Z | |
| dc.date.issued | 2011 | |
| dc.department | Ege Üniversitesi | en_US |
| dc.description.abstract | The possible stable forms and molecular structure of 4-(1-pyrrolidinyl) piperidine (4-pypp) have been studied experimentally and theoretically using nuclear magnetic resonance (NMR) spectroscopy. 1H, 13C, 15N, DEPT, COSY and HETCOR NMR spectra of 4-pypp (C9H 18N2) have been reported. Solvent effects on nuclear magnetic shielding tensors have been investigated using chloroform-d, methanol-d, acetone-d, dimethylsulfoxide-d and water-d. The magnitude of nJ(C,H) (n = 1, 2, 3) coupling constants of 4-pypp have been determined with selective 1H decoupled 13C NMR techniques. 1H, 13C, 15N NMR chemical shifts and 1-3J(C,H) coupling constants have also been calculated for the most stable two conformers, equatorial-equatorial (e-e) and axial-equatorial (a-e) forms of 4-pypp using DFT/6-311++G(d,p)//6-31G(d) level of theory. Results from experimental and theoretical data have showed that the molecular geometry and the mole fractions of stable conformers of 4-pypp are solvent dependent. © 2011 Chemical Society of Ethiopia. | en_US |
| dc.identifier.endpage | 442 | en_US |
| dc.identifier.issn | 1011-3924 | |
| dc.identifier.issn | 1011-3924 | en_US |
| dc.identifier.issue | 3 | en_US |
| dc.identifier.scopusquality | Q3 | en_US |
| dc.identifier.startpage | 437 | en_US |
| dc.identifier.uri | https://hdl.handle.net/11454/19116 | |
| dc.identifier.volume | 25 | en_US |
| dc.indekslendigikaynak | Scopus | en_US |
| dc.language.iso | en | en_US |
| dc.relation.ispartof | Bulletin of the Chemical Society of Ethiopia | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | 4-(1-pyrrolidinyl)piperidine | en_US |
| dc.subject | Axial | en_US |
| dc.subject | DFT | en_US |
| dc.subject | Equatorial | en_US |
| dc.subject | NMR | en_US |
| dc.title | Experimental and theoretical NMR study of 4-(1-pyrrolidinyl)piperidine | en_US |
| dc.type | Article | en_US |
