The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations

The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ0...

Full description

Saved in:
Bibliographic Details
Published in:Journal of molecular spectroscopy 1996-04, Vol.176 (2), p.364-368
Main Authors: Fantoni, A.C., Caminati, Walther, Favero, Paolo G.
Format: Article
Language:English
Citations: 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-c1337-a8526a09955a55719f21a930f19b178770757ef7456e0e74a12ef95cdf1c96d53
cites
container_end_page 368
container_issue 2
container_start_page 364
container_title Journal of molecular spectroscopy
container_volume 176
creator Fantoni, A.C.
Caminati, Walther
Favero, Paolo G.
description The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ01= 18953.0(7) MHz between the O+and O−states of theAsublevel. The spacings between theEandAlevels related to the methyl group internal rotation are ΔAE= 295(2) and 291(3) MHz for the O+and O−states, respectively. Both the thiolic hydrogen and the sulfur atom are largely out of the plane, containing all the remaining heavy atoms. This is also in agreement with the 6-31 G**ab initiocalculations.
doi_str_mv 10.1006/jmsp.1996.0097
format article
fullrecord <record><control><sourceid>elsevier_cross</sourceid><recordid>TN_cdi_crossref_primary_10_1006_jmsp_1996_0097</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0022285296900971</els_id><sourcerecordid>S0022285296900971</sourcerecordid><originalsourceid>FETCH-LOGICAL-c1337-a8526a09955a55719f21a930f19b178770757ef7456e0e74a12ef95cdf1c96d53</originalsourceid><addsrcrecordid>eNp1kMFOwzAMhiMEEmNw5ZwX6EjapWmO02BsaBNIGxK3Kk3dLVObVEk21CfhdWk1rpx8sD_b_4fQIyUTSkj6dGx8O6FCpBNCBL9CI0pEGpEs-bpGI0LiOIozFt-iO--PhFDKeDJCP7sD4O0S76zz2hr8bE9FDXijjW5ODf6wAUzQssba4A2EQ1eHg7b7ulO2lgGw9HgbTqWGEhddj9W1biCA-5ZnwAsHgN8g4FnhrWvDcGDbggrOemXbDktTygKvjO5bK3MGH_ReDmP-Ht1Usvbw8FfH6HPxspsvo_X762o-W0eKJgmPZJ8olUQIxiRjnIoqplIkpKKioDzjnHDGoeJTlgIBPpU0hkowVVZUibRkyRhNLntV_5N3UOWt0410XU5JPmjNB635oDUftPZAdgGg_-qsweVeaTAKSu36ZHlp9X_oL8a9gkE</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations</title><source>ScienceDirect Freedom Collection</source><creator>Fantoni, A.C. ; Caminati, Walther ; Favero, Paolo G.</creator><creatorcontrib>Fantoni, A.C. ; Caminati, Walther ; Favero, Paolo G.</creatorcontrib><description>The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ01= 18953.0(7) MHz between the O+and O−states of theAsublevel. The spacings between theEandAlevels related to the methyl group internal rotation are ΔAE= 295(2) and 291(3) MHz for the O+and O−states, respectively. Both the thiolic hydrogen and the sulfur atom are largely out of the plane, containing all the remaining heavy atoms. This is also in agreement with the 6-31 G**ab initiocalculations.</description><identifier>ISSN: 0022-2852</identifier><identifier>EISSN: 1096-083X</identifier><identifier>DOI: 10.1006/jmsp.1996.0097</identifier><language>eng</language><publisher>Elsevier Inc</publisher><ispartof>Journal of molecular spectroscopy, 1996-04, Vol.176 (2), p.364-368</ispartof><rights>1996 Academic Press</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c1337-a8526a09955a55719f21a930f19b178770757ef7456e0e74a12ef95cdf1c96d53</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Fantoni, A.C.</creatorcontrib><creatorcontrib>Caminati, Walther</creatorcontrib><creatorcontrib>Favero, Paolo G.</creatorcontrib><title>The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations</title><title>Journal of molecular spectroscopy</title><description>The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ01= 18953.0(7) MHz between the O+and O−states of theAsublevel. The spacings between theEandAlevels related to the methyl group internal rotation are ΔAE= 295(2) and 291(3) MHz for the O+and O−states, respectively. Both the thiolic hydrogen and the sulfur atom are largely out of the plane, containing all the remaining heavy atoms. This is also in agreement with the 6-31 G**ab initiocalculations.</description><issn>0022-2852</issn><issn>1096-083X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><recordid>eNp1kMFOwzAMhiMEEmNw5ZwX6EjapWmO02BsaBNIGxK3Kk3dLVObVEk21CfhdWk1rpx8sD_b_4fQIyUTSkj6dGx8O6FCpBNCBL9CI0pEGpEs-bpGI0LiOIozFt-iO--PhFDKeDJCP7sD4O0S76zz2hr8bE9FDXijjW5ODf6wAUzQssba4A2EQ1eHg7b7ulO2lgGw9HgbTqWGEhddj9W1biCA-5ZnwAsHgN8g4FnhrWvDcGDbggrOemXbDktTygKvjO5bK3MGH_ReDmP-Ht1Usvbw8FfH6HPxspsvo_X762o-W0eKJgmPZJ8olUQIxiRjnIoqplIkpKKioDzjnHDGoeJTlgIBPpU0hkowVVZUibRkyRhNLntV_5N3UOWt0410XU5JPmjNB635oDUftPZAdgGg_-qsweVeaTAKSu36ZHlp9X_oL8a9gkE</recordid><startdate>199604</startdate><enddate>199604</enddate><creator>Fantoni, A.C.</creator><creator>Caminati, Walther</creator><creator>Favero, Paolo G.</creator><general>Elsevier Inc</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>199604</creationdate><title>The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations</title><author>Fantoni, A.C. ; Caminati, Walther ; Favero, Paolo G.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1337-a8526a09955a55719f21a930f19b178770757ef7456e0e74a12ef95cdf1c96d53</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Fantoni, A.C.</creatorcontrib><creatorcontrib>Caminati, Walther</creatorcontrib><creatorcontrib>Favero, Paolo G.</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of molecular spectroscopy</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Fantoni, A.C.</au><au>Caminati, Walther</au><au>Favero, Paolo G.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations</atitle><jtitle>Journal of molecular spectroscopy</jtitle><date>1996-04</date><risdate>1996</risdate><volume>176</volume><issue>2</issue><spage>364</spage><epage>368</epage><pages>364-368</pages><issn>0022-2852</issn><eissn>1096-083X</eissn><abstract>The free jet absorption millimeterwave spectrum of methylthioglycolate has been investigated in the 60–78 GHz frequency range. Doublings due to two large-amplitude motions have been observed and analyzed. The two-minima potential associated with the SH group torsion generate a vibrational spacing Δ01= 18953.0(7) MHz between the O+and O−states of theAsublevel. The spacings between theEandAlevels related to the methyl group internal rotation are ΔAE= 295(2) and 291(3) MHz for the O+and O−states, respectively. Both the thiolic hydrogen and the sulfur atom are largely out of the plane, containing all the remaining heavy atoms. This is also in agreement with the 6-31 G**ab initiocalculations.</abstract><pub>Elsevier Inc</pub><doi>10.1006/jmsp.1996.0097</doi><tpages>5</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0022-2852
ispartof Journal of molecular spectroscopy, 1996-04, Vol.176 (2), p.364-368
issn 0022-2852
1096-083X
language eng
recordid cdi_crossref_primary_10_1006_jmsp_1996_0097
source ScienceDirect Freedom Collection
title The SH Torsion Double Minimum Potential in Methylthioglycolate as Studied by Millimeterwave Free Jet Absorption Spectroscopy andab InitioInvestigations
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-13T04%3A05%3A16IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-elsevier_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=The%20SH%20Torsion%20Double%20Minimum%20Potential%20in%20Methylthioglycolate%20as%20Studied%20by%20Millimeterwave%20Free%20Jet%20Absorption%20Spectroscopy%20andab%20InitioInvestigations&rft.jtitle=Journal%20of%20molecular%20spectroscopy&rft.au=Fantoni,%20A.C.&rft.date=1996-04&rft.volume=176&rft.issue=2&rft.spage=364&rft.epage=368&rft.pages=364-368&rft.issn=0022-2852&rft.eissn=1096-083X&rft_id=info:doi/10.1006/jmsp.1996.0097&rft_dat=%3Celsevier_cross%3ES0022285296900971%3C/elsevier_cross%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c1337-a8526a09955a55719f21a930f19b178770757ef7456e0e74a12ef95cdf1c96d53%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