An extension of the Beierbeck and Saunders parameters for the semiempirical calculation of the 13C nuclear magnetic resonance chemical shifts: the gauche-γ(X) effect in epoxides
An additional substituent parameter, the gauche-γ(X), was derived and a correction for the HC parameter of Beierbeck and Saunders is proposed; this new parameter would allow the semiempirical calculation of 13 C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their...
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| Veröffentlicht in: | Canadian journal of chemistry 1986-03, Vol.64 (3), p.552-555 |
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| container_end_page | 555 |
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| container_issue | 3 |
| container_start_page | 552 |
| container_title | Canadian journal of chemistry |
| container_volume | 64 |
| creator | Colombo, Maria I Bustos, Daniel A Gonzalez-Sierra, Manuel Olivieri, Alejandro C Ruveda, Edmundo A |
| description | An additional substituent parameter, the gauche-γ(X), was derived and a correction for the HC parameter of Beierbeck and Saunders is proposed; this new parameter would allow the semiempirical calculation of
13
C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their stereochemistry. |
| doi_str_mv | 10.1139/v86-088 |
| format | Article |
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13
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13
C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their stereochemistry.</description><subject>Atomic and molecular physics</subject><subject>Exact sciences and technology</subject><subject>Molecular properties and interactions with photons</subject><subject>Nuclear resonance and relaxation</subject><subject>Physics</subject><issn>0008-4042</issn><issn>1480-3291</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1986</creationdate><recordtype>article</recordtype><recordid>eNp1kd9KwzAUxoMoOKf4CrkQUaGaNGmXeTeH_2DghQrelTQ9WaNtWpJW5mvpe_hMZpuKN0JCzgm_7_AdPoT2KTmllI3PXkUaESE20IByQSIWj-kmGhBCRMQJj7fRjvfPoR2ROBmg94nFsOjAetNY3GjclYAvwIDLQb1gaQt8L3tbgPO4lU7W0C1L3bgV6aE2ULfGGSUrHK7qK9n9GUXZFNteVSAdruXcQmcUduAbK60CrMowYCn1pdGdP19p5rIP_9Hnx9HTMQatQXXYBJttszAF-F20pWXlYe_7HaLHq8uH6U00u7u-nU5mkaWxEJEGxvM8JYwmCdfhpFwx0DnJlShoouIk1DLOJSRa8Rx4osdCUyCxYgmhBRuig_XcVvpgUbvg2PisdaaW7i0bjXnKBQ3Y4RqzToXFwqKq_IVCGFkII2sLHcCT_0FKsmV6PwL2BaYqkM8</recordid><startdate>19860301</startdate><enddate>19860301</enddate><creator>Colombo, Maria I</creator><creator>Bustos, Daniel A</creator><creator>Gonzalez-Sierra, Manuel</creator><creator>Olivieri, Alejandro C</creator><creator>Ruveda, Edmundo A</creator><general>NRC Research Press</general><general>National Research Council of Canada</general><scope>IQODW</scope></search><sort><creationdate>19860301</creationdate><title>An extension of the Beierbeck and Saunders parameters for the semiempirical calculation of the 13C nuclear magnetic resonance chemical shifts: the gauche-γ(X) effect in epoxides</title><author>Colombo, Maria I ; Bustos, Daniel A ; Gonzalez-Sierra, Manuel ; Olivieri, Alejandro C ; Ruveda, Edmundo A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-n1288-fe34bb6031554f54f64c3efb0bc8d15c25fb0a2bae5fc4be45f98f1e02c3501d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1986</creationdate><topic>Atomic and molecular physics</topic><topic>Exact sciences and technology</topic><topic>Molecular properties and interactions with photons</topic><topic>Nuclear resonance and relaxation</topic><topic>Physics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Colombo, Maria I</creatorcontrib><creatorcontrib>Bustos, Daniel A</creatorcontrib><creatorcontrib>Gonzalez-Sierra, Manuel</creatorcontrib><creatorcontrib>Olivieri, Alejandro C</creatorcontrib><creatorcontrib>Ruveda, Edmundo A</creatorcontrib><collection>Pascal-Francis</collection><jtitle>Canadian journal of chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Colombo, Maria I</au><au>Bustos, Daniel A</au><au>Gonzalez-Sierra, Manuel</au><au>Olivieri, Alejandro C</au><au>Ruveda, Edmundo A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>An extension of the Beierbeck and Saunders parameters for the semiempirical calculation of the 13C nuclear magnetic resonance chemical shifts: the gauche-γ(X) effect in epoxides</atitle><jtitle>Canadian journal of chemistry</jtitle><addtitle>Revue canadienne de chimie</addtitle><date>1986-03-01</date><risdate>1986</risdate><volume>64</volume><issue>3</issue><spage>552</spage><epage>555</epage><pages>552-555</pages><issn>0008-4042</issn><eissn>1480-3291</eissn><coden>CJCHAG</coden><abstract>An additional substituent parameter, the gauche-γ(X), was derived and a correction for the HC parameter of Beierbeck and Saunders is proposed; this new parameter would allow the semiempirical calculation of
13
C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their stereochemistry.</abstract><cop>Ottawa, Canada</cop><pub>NRC Research Press</pub><doi>10.1139/v86-088</doi><tpages>4</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0008-4042 |
| ispartof | Canadian journal of chemistry, 1986-03, Vol.64 (3), p.552-555 |
| issn | 0008-4042 1480-3291 |
| language | eng |
| recordid | cdi_pascalfrancis_primary_7946481 |
| source | NRC Research Press; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; Free Full-Text Journals in Chemistry |
| subjects | Atomic and molecular physics Exact sciences and technology Molecular properties and interactions with photons Nuclear resonance and relaxation Physics |
| title | An extension of the Beierbeck and Saunders parameters for the semiempirical calculation of the 13C nuclear magnetic resonance chemical shifts: the gauche-γ(X) effect in epoxides |
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