{"title":"HOW SOLVENTS CHANGE THE CONFORMATIONAL LANDSCAPE IN MOLECULES WITH WEAK INTRAMOLECULAR INTERACTIONS: METHYL 2-METHOXYBENZOATE","authors":"Alberto Macario, S. Blanco, J. López","doi":"10.15278/isms.2020.wl03","DOIUrl":"https://doi.org/10.15278/isms.2020.wl03","url":null,"abstract":". The conformational behavior of methyl 2-methoxybenzoate has been explored using rotational spectroscopy. The two conformers identified show for each rotational transition a quadruplet attributable to two sets of splittings due to two tunneling motions, the internal rotation of the ester methyl group and the internal rotation of the entire ester group with respect to the benzene ring, which in addition interconverts both observed conformers. The analysis of such splittings allowed the determination of the potential energy barriers for the tunneling vibrations. The spectra of the complexes of methyl 2-methoxybenzoate with water and formic acid have also been analyzed. In both cases, only the global minimum structure could be identified in the spectra. In contrast with the observations in many other systems, the conformational landscape of the monomer is altered upon complexation. In the complexes the relative stability of the conformers observed in the monomer turn out to be inverted. Ester group torsion and methyl group internal rotation splittings were observed in the monohydrated complex, but not in the complex with formic acid.","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"97 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122236013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"1- AND 2-DIMENSIONAL POTENTAL FUNCTIONS WHEN V3 IS NOT THE BARRIER","authors":"P. Groner","doi":"10.15278/isms.2020.wg05","DOIUrl":"https://doi.org/10.15278/isms.2020.wg05","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"71 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"120836624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"MICROWAVE SPECTRUM OF THE METHANESULFONIC ACID – WATER COMPLEX","authors":"Anna K. Huff, K. Leopold, N. Love","doi":"10.15278/isms.2020.wf05","DOIUrl":"https://doi.org/10.15278/isms.2020.wf05","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126430719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"VIBRATIONAL SPECIFICITY OF PROTON-TRANSFER DYNAMICS IN ELECTRONICALLY EXCITED 6-HYDROXY-2-FORMYLFULVENE","authors":"Lidor Foguel, P. Vaccaro, Zachary N Vealey","doi":"10.15278/isms.2020.wd02","DOIUrl":"https://doi.org/10.15278/isms.2020.wd02","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"27 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132372770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"THEORY OF INTRACAVITY NEAR-RESONANT TWO-PHOTON ABSORPTION","authors":"K. Lehmann","doi":"10.15278/isms.2020.wd04","DOIUrl":"https://doi.org/10.15278/isms.2020.wd04","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123549301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
G. Feng, V. Barone, C. Puzzarini, Jens‐Uwe Grabow, Q. Gou, K. Lengsfeld, L. Spada, Yang Zheng, S. Alessandrini, Xiaolong Li
{"title":"STRUCTURE AND NON-COVALENT INTERACTIONS OF THE BENZOFURAN-FORMALDEHYDE COMPLEX EXPLORED BY MICROWAVE SPECTROSCOPY AND QUANTUM-CHEMICAL CALCULATIONS","authors":"G. Feng, V. Barone, C. Puzzarini, Jens‐Uwe Grabow, Q. Gou, K. Lengsfeld, L. Spada, Yang Zheng, S. Alessandrini, Xiaolong Li","doi":"10.15278/isms.2020.wd06","DOIUrl":"https://doi.org/10.15278/isms.2020.wd06","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115604623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hamzeh Telfah, C. Haimberger, Adam T. Heiniger, U. Eismann, W. Hurlbut, M. Cich, D. Foote, Jinjun Liu
{"title":"A WIDELY TUNABLE HIGH-POWER CONTINUOUS-WAVE OPTICAL PARAMETRIC OSCILLATOR (CW-OPO) SYSTEM FOR MID-INFRARED SPECTROSCOPY AND FREQUENCY METROLOGY","authors":"Hamzeh Telfah, C. Haimberger, Adam T. Heiniger, U. Eismann, W. Hurlbut, M. Cich, D. Foote, Jinjun Liu","doi":"10.15278/isms.2020.wh06","DOIUrl":"https://doi.org/10.15278/isms.2020.wh06","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"385 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126922661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"DETERMINATION OF SUBSTITUTION EFFECTS ON THE STRUCTURES OF 2-, 3-, AND 4-PICOLYLAMINE USING FOURIER TRANSFORM MICROWAVE SPECTROSCOPY","authors":"R. G. Bird, Kaylee Shook, Caleb Shiery","doi":"10.15278/isms.2020.wj09","DOIUrl":"https://doi.org/10.15278/isms.2020.wj09","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122664951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"CHIRAL TAG ROTATIONAL SPECTROSCOPY FOR CHIRAL ANALYSIS OF CARBOXYLIC ACIDS","authors":"Haley N Scolati, B. Pate, Kevin S. Mayer","doi":"10.15278/isms.2020.wk05","DOIUrl":"https://doi.org/10.15278/isms.2020.wk05","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"121 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122749522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nicole T. Moon, G. Grubbs, C. Swanson, Tiara Pulliam, J. Isert, Frank E. Marshall, Amanda Duerden
{"title":"CONSTRUCTION AND DEMONSTRATION OF A MICROWAVE THREE-WAVE MIXING SPECTROMETER AT THE MISSOURI UNIVERSITY OF SCIENCE AND TECHNOLOGY","authors":"Nicole T. Moon, G. Grubbs, C. Swanson, Tiara Pulliam, J. Isert, Frank E. Marshall, Amanda Duerden","doi":"10.15278/isms.2020.wk03","DOIUrl":"https://doi.org/10.15278/isms.2020.wk03","url":null,"abstract":"","PeriodicalId":313970,"journal":{"name":"Proceedings of the 2020 International Symposium on Molecular Spectroscopy","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125779859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}