Loading…
Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study
The synthesis and assignment of 15 N and 13 C NMR signals of the isoxazole ring in a series of para ‐substituted 3‐phenyl derivatives are reported. DFT calculations of 15 N and 13 C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Ham...
Saved in:
| Published in: | Magnetic resonance in chemistry 2006-09, Vol.44 (9), p.851-855 |
|---|---|
| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Citations: | Items that this one cites Items that cite this one |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| cited_by | cdi_FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3 |
|---|---|
| cites | cdi_FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3 |
| container_end_page | 855 |
| container_issue | 9 |
| container_start_page | 851 |
| container_title | Magnetic resonance in chemistry |
| container_volume | 44 |
| creator | Schofield, Mark H. Sorel, Marie‐Adele Manalansan, Ryan J. Richardson, David P. Markgraf, J. Hodge |
| description | The synthesis and assignment of
15
N and
13
C NMR signals of the isoxazole ring in a series of
para
‐substituted 3‐phenyl derivatives are reported. DFT calculations of
15
N and
13
C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2006 John Wiley & Sons, Ltd. |
| doi_str_mv | 10.1002/mrc.1860 |
| format | article |
| fullrecord | <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1002_mrc_1860</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1002_mrc_1860</sourcerecordid><originalsourceid>FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3</originalsourceid><addsrcrecordid>eNotkM1KxDAURoMoOI6Cj5Clm-rNpEkbdzL4B-MIOgt3Jb25oZVOW5oMOq58BJ_RJ3Gqrr7N4XxwGDsVcC4AZhfrAc9FrmGPTQSYLElV_rLPJpClJhEqF4fsKIRXADAmkxP29rwpQ6zjhtrIyXvCGHjXcqH4ktvWcSH5nC8fnjhWtK7RNjxUtR8hz-X351dfUbtt6tC924-uoXDJLY8VdQPFX3p0hH6nHbqAXV8jD3HjtsfswNsm0Mn_Ttnq5no1v0sWj7f386tFgtkMElG6zGqlUge5lt5oREIPRlugTM9S5R0JKUtXZijBmVSBKFNB2jmgElFO2dmfFnf3YSBf9EO9tsO2EFCMvYpdr2LsJX8AzHRgIA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study</title><source>Wiley-Blackwell Read & Publish Collection</source><creator>Schofield, Mark H. ; Sorel, Marie‐Adele ; Manalansan, Ryan J. ; Richardson, David P. ; Markgraf, J. Hodge</creator><creatorcontrib>Schofield, Mark H. ; Sorel, Marie‐Adele ; Manalansan, Ryan J. ; Richardson, David P. ; Markgraf, J. Hodge</creatorcontrib><description>The synthesis and assignment of
15
N and
13
C NMR signals of the isoxazole ring in a series of
para
‐substituted 3‐phenyl derivatives are reported. DFT calculations of
15
N and
13
C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2006 John Wiley & Sons, Ltd.</description><identifier>ISSN: 0749-1581</identifier><identifier>EISSN: 1097-458X</identifier><identifier>DOI: 10.1002/mrc.1860</identifier><language>eng</language><ispartof>Magnetic resonance in chemistry, 2006-09, Vol.44 (9), p.851-855</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3</citedby><cites>FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Schofield, Mark H.</creatorcontrib><creatorcontrib>Sorel, Marie‐Adele</creatorcontrib><creatorcontrib>Manalansan, Ryan J.</creatorcontrib><creatorcontrib>Richardson, David P.</creatorcontrib><creatorcontrib>Markgraf, J. Hodge</creatorcontrib><title>Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study</title><title>Magnetic resonance in chemistry</title><description>The synthesis and assignment of
15
N and
13
C NMR signals of the isoxazole ring in a series of
para
‐substituted 3‐phenyl derivatives are reported. DFT calculations of
15
N and
13
C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2006 John Wiley & Sons, Ltd.</description><issn>0749-1581</issn><issn>1097-458X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><recordid>eNotkM1KxDAURoMoOI6Cj5Clm-rNpEkbdzL4B-MIOgt3Jb25oZVOW5oMOq58BJ_RJ3Gqrr7N4XxwGDsVcC4AZhfrAc9FrmGPTQSYLElV_rLPJpClJhEqF4fsKIRXADAmkxP29rwpQ6zjhtrIyXvCGHjXcqH4ktvWcSH5nC8fnjhWtK7RNjxUtR8hz-X351dfUbtt6tC924-uoXDJLY8VdQPFX3p0hH6nHbqAXV8jD3HjtsfswNsm0Mn_Ttnq5no1v0sWj7f386tFgtkMElG6zGqlUge5lt5oREIPRlugTM9S5R0JKUtXZijBmVSBKFNB2jmgElFO2dmfFnf3YSBf9EO9tsO2EFCMvYpdr2LsJX8AzHRgIA</recordid><startdate>200609</startdate><enddate>200609</enddate><creator>Schofield, Mark H.</creator><creator>Sorel, Marie‐Adele</creator><creator>Manalansan, Ryan J.</creator><creator>Richardson, David P.</creator><creator>Markgraf, J. Hodge</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>200609</creationdate><title>Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study</title><author>Schofield, Mark H. ; Sorel, Marie‐Adele ; Manalansan, Ryan J. ; Richardson, David P. ; Markgraf, J. Hodge</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Schofield, Mark H.</creatorcontrib><creatorcontrib>Sorel, Marie‐Adele</creatorcontrib><creatorcontrib>Manalansan, Ryan J.</creatorcontrib><creatorcontrib>Richardson, David P.</creatorcontrib><creatorcontrib>Markgraf, J. Hodge</creatorcontrib><collection>CrossRef</collection><jtitle>Magnetic resonance in chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Schofield, Mark H.</au><au>Sorel, Marie‐Adele</au><au>Manalansan, Ryan J.</au><au>Richardson, David P.</au><au>Markgraf, J. Hodge</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study</atitle><jtitle>Magnetic resonance in chemistry</jtitle><date>2006-09</date><risdate>2006</risdate><volume>44</volume><issue>9</issue><spage>851</spage><epage>855</epage><pages>851-855</pages><issn>0749-1581</issn><eissn>1097-458X</eissn><abstract>The synthesis and assignment of
15
N and
13
C NMR signals of the isoxazole ring in a series of
para
‐substituted 3‐phenyl derivatives are reported. DFT calculations of
15
N and
13
C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2006 John Wiley & Sons, Ltd.</abstract><doi>10.1002/mrc.1860</doi><tpages>5</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0749-1581 |
| ispartof | Magnetic resonance in chemistry, 2006-09, Vol.44 (9), p.851-855 |
| issn | 0749-1581 1097-458X |
| language | eng |
| recordid | cdi_crossref_primary_10_1002_mrc_1860 |
| source | Wiley-Blackwell Read & Publish Collection |
| title | Substituent effects on 15 N and 13 C NMR chemical shifts of 3‐phenylisoxazoles: a theoretical and spectroscopic study |
| url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-02T19%3A45%3A19IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-crossref&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Substituent%20effects%20on%2015%20N%20and%2013%20C%20NMR%20chemical%20shifts%20of%203%E2%80%90phenylisoxazoles:%20a%20theoretical%20and%20spectroscopic%20study&rft.jtitle=Magnetic%20resonance%20in%20chemistry&rft.au=Schofield,%20Mark%20H.&rft.date=2006-09&rft.volume=44&rft.issue=9&rft.spage=851&rft.epage=855&rft.pages=851-855&rft.issn=0749-1581&rft.eissn=1097-458X&rft_id=info:doi/10.1002/mrc.1860&rft_dat=%3Ccrossref%3E10_1002_mrc_1860%3C/crossref%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c720-1bd7a6554d0863f96ccecf096a0e76245fde133bdb7c30d94501b41e6dd0ebcc3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true |