Instantaneous normal mode analysis of liquid methanol

The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of “stret...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 2001-07, Vol.115 (1), p.395-401
Main Authors: Garberoglio, G., Vallauri, R.
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-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3
cites cdi_FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3
container_end_page 401
container_issue 1
container_start_page 395
container_title The Journal of chemical physics
container_volume 115
creator Garberoglio, G.
Vallauri, R.
description The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of “stretching” modes of the hydrogen bonded network, similarly to what happens in liquid hydrogen fluoride. In the case of methanol, however, the relation between the chain dynamics and the instantaneous normal modes is much less evident, due to the strongest “coupling” of the chain motion to other diffusive processes present in the liquid.
doi_str_mv 10.1063/1.1376164
format article
fullrecord <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1063_1_1376164</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1063_1_1376164</sourcerecordid><originalsourceid>FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3</originalsourceid><addsrcrecordid>eNotj8FKAzEUAINYcK09-Ae5ekh9L0mTzVGK2kLBS-9LTF5wJbvRzfbQv1exMDC3gWHsHmGNYNQjrlFZg0ZfsQahdcIaB9esAZAonAFzw25r_QQAtFI3bLMf6-zHX6icKh_LNPjMhxKJ-9Hnc-0rL4nn_vvURz7Q_OHHku_YIvlcaXXxkh1fno_bnTi8ve63TwcRpLSzCGAjoYrSOCNDUEklgmhDTC4FJAIwTtm40cFrMuA0gH9vMbaSbHBBLdnDfzZMpdaJUvc19YOfzh1C97fbYXfZVT-D6Uee</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Instantaneous normal mode analysis of liquid methanol</title><source>American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list)</source><source>AIP_美国物理联合会现刊（与NSTL共建）</source><creator>Garberoglio, G. ; Vallauri, R.</creator><creatorcontrib>Garberoglio, G. ; Vallauri, R.</creatorcontrib><description>The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of “stretching” modes of the hydrogen bonded network, similarly to what happens in liquid hydrogen fluoride. In the case of methanol, however, the relation between the chain dynamics and the instantaneous normal modes is much less evident, due to the strongest “coupling” of the chain motion to other diffusive processes present in the liquid.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.1376164</identifier><language>eng</language><ispartof>The Journal of chemical physics, 2001-07, Vol.115 (1), p.395-401</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3</citedby><cites>FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,782,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Garberoglio, G.</creatorcontrib><creatorcontrib>Vallauri, R.</creatorcontrib><title>Instantaneous normal mode analysis of liquid methanol</title><title>The Journal of chemical physics</title><description>The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of “stretching” modes of the hydrogen bonded network, similarly to what happens in liquid hydrogen fluoride. In the case of methanol, however, the relation between the chain dynamics and the instantaneous normal modes is much less evident, due to the strongest “coupling” of the chain motion to other diffusive processes present in the liquid.</description><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><recordid>eNotj8FKAzEUAINYcK09-Ae5ekh9L0mTzVGK2kLBS-9LTF5wJbvRzfbQv1exMDC3gWHsHmGNYNQjrlFZg0ZfsQahdcIaB9esAZAonAFzw25r_QQAtFI3bLMf6-zHX6icKh_LNPjMhxKJ-9Hnc-0rL4nn_vvURz7Q_OHHku_YIvlcaXXxkh1fno_bnTi8ve63TwcRpLSzCGAjoYrSOCNDUEklgmhDTC4FJAIwTtm40cFrMuA0gH9vMbaSbHBBLdnDfzZMpdaJUvc19YOfzh1C97fbYXfZVT-D6Uee</recordid><startdate>20010701</startdate><enddate>20010701</enddate><creator>Garberoglio, G.</creator><creator>Vallauri, R.</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20010701</creationdate><title>Instantaneous normal mode analysis of liquid methanol</title><author>Garberoglio, G. ; Vallauri, R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Garberoglio, G.</creatorcontrib><creatorcontrib>Vallauri, R.</creatorcontrib><collection>CrossRef</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Garberoglio, G.</au><au>Vallauri, R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Instantaneous normal mode analysis of liquid methanol</atitle><jtitle>The Journal of chemical physics</jtitle><date>2001-07-01</date><risdate>2001</risdate><volume>115</volume><issue>1</issue><spage>395</spage><epage>401</epage><pages>395-401</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>The instantaneous normal modes for liquid methanol at 200 K are calculated and related to the topologically linear hydrogen bond network in this system. A shoulder observed in the spectra of both collective and single molecule correlation functions is explained as arising from the presence of “stretching” modes of the hydrogen bonded network, similarly to what happens in liquid hydrogen fluoride. In the case of methanol, however, the relation between the chain dynamics and the instantaneous normal modes is much less evident, due to the strongest “coupling” of the chain motion to other diffusive processes present in the liquid.</abstract><doi>10.1063/1.1376164</doi><tpages>7</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0021-9606
ispartof The Journal of chemical physics, 2001-07, Vol.115 (1), p.395-401
issn 0021-9606
1089-7690
language eng
recordid cdi_crossref_primary_10_1063_1_1376164
source American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list); AIP_美国物理联合会现刊（与NSTL共建）
title Instantaneous normal mode analysis of liquid methanol
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-27T05%3A18%3A53IST&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=Instantaneous%20normal%20mode%20analysis%20of%20liquid%20methanol&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Garberoglio,%20G.&rft.date=2001-07-01&rft.volume=115&rft.issue=1&rft.spage=395&rft.epage=401&rft.pages=395-401&rft.issn=0021-9606&rft.eissn=1089-7690&rft_id=info:doi/10.1063/1.1376164&rft_dat=%3Ccrossref%3E10_1063_1_1376164%3C/crossref%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c227t-c07de13d26962cc3f3fe0d7cdf9fc1ee006937d54ca4e609400ab81d82e7c9c3%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