{"id":"https://openalex.org/W2032015644","doi":"https://doi.org/10.1063/1.1712087","title":"Vibrational Study of the Chain Conformation of the Liquid n -Paraffins and Molten Polyethylene","display_name":"Vibrational Study of the Chain Conformation of the Liquid n -Paraffins and Molten Polyethylene","publication_year":1967,"publication_date":"1967-08-15","ids":{"openalex":"https://openalex.org/W2032015644","doi":"https://doi.org/10.1063/1.1712087","mag":"2032015644"},"language":"en","primary_location":{"id":"doi:10.1063/1.1712087","doi":"https://doi.org/10.1063/1.1712087","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1712087","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5111680310","display_name":"Robert G. Snyder","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"R. G. Snyder","raw_affiliation_strings":["Shell Development Company, Emeryville, California"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shell Development Company, Emeryville, California","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5111680310"],"corresponding_institution_ids":[],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":6.1896,"has_fulltext":false,"cited_by_count":778,"citation_normalized_percentile":{"value":0.9831612,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":100},"biblio":{"volume":"47","issue":"4","first_page":"1316","last_page":"1360"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.4936999976634979,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.4936999976634979,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.33250001072883606,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.08959999680519104,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molten-polyethylene","display_name":"molten polyethylene","score":0.9399999976158142},{"id":"https://openalex.org/keywords/polymer-conformation","display_name":"chain conformation","score":0.7900000214576721},{"id":"https://openalex.org/keywords/gauche-and-trans-conformations","display_name":"gauche and trans conformations","score":0.7910000085830688},{"id":"https://openalex.org/keywords/valence-force-field","display_name":"valence force field","score":0.9649999737739563},{"id":"https://openalex.org/keywords/infrared-spectra","display_name":"infrared spectra","score":0.6589999794960022},{"id":"https://openalex.org/keywords/normal-modes","display_name":"normal modes","score":0.5049999952316284},{"id":"https://openalex.org/keywords/c-c-stretching-vibrations","display_name":"C=C stretching vibrations","score":0.8330000042915344},{"id":"https://openalex.org/keywords/chain-length-dependence","display_name":"chain length dependence","score":0.47600001096725464},{"id":"https://openalex.org/keywords/n-hexane","display_name":"n-hexane","score":0.5289999842643738}],"concepts":[{"id":"https://openalex.org/C2779751980","wikidata":"https://www.wikidata.org/wiki/Q143429","display_name":"Polyethylene","level":2,"score":0.7144714593887329},{"id":"https://openalex.org/C13530604","wikidata":"https://www.wikidata.org/wiki/Q15318","display_name":"Melting point","level":2,"score":0.6019603610038757},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5837035179138184},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5528018474578857},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.5452159643173218},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.48460066318511963},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.4610878825187683},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.4380507469177246},{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.4270504117012024},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.41224199533462524},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.16314923763275146},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.12879091501235962},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1063/1.1712087","doi":"https://doi.org/10.1063/1.1712087","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1712087","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W1480838520","https://openalex.org/W1511905418","https://openalex.org/W1969265159","https://openalex.org/W2008550911","https://openalex.org/W2015894290","https://openalex.org/W2061998495","https://openalex.org/W2065970087","https://openalex.org/W2070286561","https://openalex.org/W2075544919","https://openalex.org/W2076247897","https://openalex.org/W2086726851","https://openalex.org/W2158982543","https://openalex.org/W2328540233","https://openalex.org/W2330275827","https://openalex.org/W3022503991"],"related_works":["https://openalex.org/W1546423845","https://openalex.org/W2011454764","https://openalex.org/W3022503991","https://openalex.org/W1668014207","https://openalex.org/W2061998495","https://openalex.org/W337832314","https://openalex.org/W2023378010","https://openalex.org/W1486132973","https://openalex.org/W2352213764","https://openalex.org/W2029452249"],"abstract_inverted_index":{"A":[0],"vibrational":[1],"and":[2,10,33,47,52,57,60,85,99,108,135,143,154,173,188,219,225,242,266,322,345,391],"attendant":[3],"conformational":[4],"analysis":[5,20],"of":[6,18,44,64,74,115,127,145,152,165,202,207,251,258,262,309,328,338,381],"the":[7,16,19,75,105,125,137,163,167,171,181,186,193,249,259,263,289,302,307,326,329,379,382],"liquid":[8],"n-paraffins":[9,384],"molten":[11],"polyethylene":[12],"is":[13,28,269,332,349,375],"presented.":[14],"For":[15],"purposes":[17],"a":[21,91,358],"valence":[22],"force":[23,37],"field":[24,38],"was":[25,39,176],"derived":[26],"which":[27],"applicable":[29],"to":[30,150,178,199,248,362,385],"both":[31],"planar":[32],"nonplanar":[34,138],"chains.":[35,330],"The":[36],"evaluated":[40],"from":[41,357],"observed":[42,300],"frequencies":[43],"trans":[45,278],"(T)":[46],"gauche":[48,113,133,158,254,312,316,371],"(G)":[49],"n-C4H10;":[50],"TT":[51,174],"GT":[53,172,189],"n-C5H12;":[54],"TTT,":[55],"GTT,":[56],"TGT":[58],"n-C6H14;":[59],"(T)\u221e":[61],"polyethylene,":[62],"all":[63],"whose":[65],"infrared":[66],"spectra":[67,73],"were":[68,80,102,121,160,197],"assigned":[69],"in":[70,192,320,353,355,378],"detail.":[71],"Infrared":[72],"liquid-n-paraffins":[76],"n-C4H10":[77,86,116],"through":[78,87,117,129],"n-C17H36":[79],"measured":[81],"at":[82,90,281],"room":[83],"temperature":[84,92],"n-C12H26":[88],"also":[89,122],"just":[93],"above":[94],"their":[95,246],"melting":[96],"point.":[97],"Frequencies":[98],"normal":[100],"coordinates":[101],"calculated":[103,123],"for":[104,109,124,136,301,335],"extended":[106,360,390,394],"forms":[107,110,151],"having":[111,131,156,277,364],"one":[112,363,365],"bond":[114],"n-C8H18.":[118],"These":[119,305],"quantities":[120],"conformations":[126,141,204],"n-C5H12":[128,153,166],"n-C7H16":[130],"two":[132,157,236,368],"bonds":[134,159,317],"but":[139,314],"regular":[140],"(TG)\u221e":[142],"(G)\u221e":[144],"polyethylene.":[146],"Some":[147],"bands":[148,233],"attributable":[149],"n-C6H14":[155],"found.":[161,287],"In":[162,288],"case":[164,380],"energy":[168],"difference":[169],"between":[170,185,388],"states":[175],"found":[177,198],"be":[179,200],"nearly":[180],"same":[182],"as":[183,213],"that":[184,334],"GG":[187],"states.":[190],"Bands":[191,271],"region":[194,290],"1400\u20131300":[195],"cm\u22121":[196,244,292],"characteristic":[201],"specific":[203],"involving":[205,280],"sequences":[206,279],"five":[208],"or":[209,275,366,369],"fewer":[210],"methylenes,":[211],"such":[212],"\u2014GTTG\u2014":[214],"(1338":[215],"cm\u22121),":[216,221,224],"\u2014GTG":[217],"(1368":[218],"1308":[220],"\u2014GG\u2014":[222],"(1352":[223],"terminal":[226],"\u2014TG":[227],"groups":[228,285],"(1344":[229],"cm\u22121).":[230],"All":[231],"these":[232,315],"together":[234],"with":[235,273,311],"broader":[237],"ones":[238],"centered":[239],"near":[240,325],"1270":[241],"1080":[243],"owe":[245],"intensity":[247],"wagging":[250],"methylenes":[252],"adjoining":[253],"bonds.":[255,372],"An":[256],"interpretation":[257],"general":[260],"features":[261],"C\u2013C-stretching,":[264],"methylene-rocking,":[265],"methylene-scissoring":[267],"regions":[268],"given.":[270],"associated":[272],"molecules":[274,310],"chains":[276],"least":[282],"four":[283],"methylene":[284],"are":[286,294,318,323],"1300\u20131150":[291],"there":[293,348],"chain-length-dependent":[295],"band":[296],"progressions":[297],"resembling":[298],"those":[299],"crystalline":[303],"n-paraffins.":[304],"indicate":[306],"presence":[308],"bonds,":[313],"few":[319],"number":[321],"located":[324],"ends":[327],"It":[331],"shown":[333],"certain":[336],"kinds":[337],"vibrations,":[339],"particularly":[340],"totally":[341],"symmetric":[342],"C\u2013C":[343],"stretching":[344],"\u2220CCC":[346],"bending,":[347],"very":[350,376],"little":[351],"change":[352],"frequency":[354],"going":[356],"fully":[359,389,393],"chain":[361],"even":[367],"more":[370],"Hence,":[373],"it":[374],"difficult":[377],"longer":[383],"distinguish":[386],"spectroscopically":[387],"almost":[392],"conformations.":[395]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":10},{"year":2014,"cited_by_count":7},{"year":2013,"cited_by_count":9},{"year":2012,"cited_by_count":16}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}