FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2025074020> ?p ?o ?g. }

• W2025074020 abstract "The HXeCCH...CO2 complex is studied experimentally and computationally. The complex is prepared in a low-temperature xenon matrix using UV photolysis of propiolic acid (HCCCOOH) and thermal mobilization of H atoms at 45 K. Photolysis of propiolic acid leads to the HCCH...CO2 complex as one of the photolysis products. The HCCH...CO2 complex is further photolyzed to the HCC...CO2 complex. Thermal annealing leads to the formation of HXeCCH complexed with CO2. The H-Xe stretching absorption of the HXeCCH...CO2 complex is blueshifted (+31.9 and +5.8 cm(-1)) from the value of the HXeCCH monomer in a xenon matrix. In the calculations, three HXeCCH...CO2 structures were found (one parallel and two linear structures) corresponding to the true energy minima on the potential energy surface. For the H-Xe stretching mode, the calculations give blueshifted values of +19.2 or +19.5 cm(-1) depending on the computational level [MP2/6-311++G(2d,2p) and MP2/aug-cc-pVDZ] for the parallel structure and +19.4 or +27.9 cm(-1) for one linear structure. For the second linear structure, the H-Xe stretching frequency is redshifted by -8.6 or -9.4 cm(-1) at these levels of theory. Based on the calculations, the experimental band shifted by +5.8 cm(-1) (1492.2 cm(-1)) most likely corresponds to the HXeCCH...CO2 parallel structure. The band with larger blueshift of +31.9 cm(-1) (1518.3 cm(-1)) can be due to another matrix site of the same structure or to the blueshifting linear structure." @default.
• W2025074020 created "2016-06-24" @default.
• W2025074020 creator A5011985379 @default.
• W2025074020 creator A5013431817 @default.
• W2025074020 creator A5014022356 @default.
• W2025074020 creator A5018699060 @default.
• W2025074020 creator A5056667800 @default.
• W2025074020 date "2007-10-18" @default.
• W2025074020 modified "2023-09-28" @default.
• W2025074020 title "Matrix isolation and <i>ab initio</i> study of the HXeCCH⋯CO2 complex" @default.
• W2025074020 cites W1515705871 @default.
• W2025074020 cites W1649473175 @default.
• W2025074020 cites W1665393863 @default.
• W2025074020 cites W1965476232 @default.
• W2025074020 cites W1973706303 @default.
• W2025074020 cites W1980268937 @default.
• W2025074020 cites W1982078758 @default.
• W2025074020 cites W1984149878 @default.
• W2025074020 cites W1984237478 @default.
• W2025074020 cites W1984611403 @default.
• W2025074020 cites W1986453413 @default.
• W2025074020 cites W1987913796 @default.
• W2025074020 cites W1993092409 @default.
• W2025074020 cites W1993640709 @default.
• W2025074020 cites W1997291786 @default.
• W2025074020 cites W2004508779 @default.
• W2025074020 cites W2007028295 @default.
• W2025074020 cites W2007978828 @default.
• W2025074020 cites W2023722285 @default.
• W2025074020 cites W2030100997 @default.
• W2025074020 cites W2036611278 @default.
• W2025074020 cites W2038333390 @default.
• W2025074020 cites W2042645308 @default.
• W2025074020 cites W2045595836 @default.
• W2025074020 cites W2051774577 @default.
• W2025074020 cites W2055913904 @default.
• W2025074020 cites W2057101515 @default.
• W2025074020 cites W2057869699 @default.
• W2025074020 cites W2058179558 @default.
• W2025074020 cites W2064647821 @default.
• W2025074020 cites W2067089063 @default.
• W2025074020 cites W2068168561 @default.
• W2025074020 cites W2069388206 @default.
• W2025074020 cites W2079597682 @default.
• W2025074020 cites W2083536741 @default.
• W2025074020 cites W2088296771 @default.
• W2025074020 cites W2094646220 @default.
• W2025074020 cites W2095579130 @default.
• W2025074020 cites W2103183629 @default.
• W2025074020 cites W2148941593 @default.
• W2025074020 cites W2149981330 @default.
• W2025074020 cites W2170068160 @default.
• W2025074020 cites W2949463825 @default.
• W2025074020 cites W2950112287 @default.
• W2025074020 cites W2988498132 @default.
• W2025074020 doi "https://doi.org/10.1063/1.2780846" @default.
• W2025074020 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17949155" @default.
• W2025074020 hasPublicationYear "2007" @default.
• W2025074020 type Work @default.
• W2025074020 sameAs 2025074020 @default.
• W2025074020 citedByCount "37" @default.
• W2025074020 countsByYear W20250740202012 @default.
• W2025074020 countsByYear W20250740202013 @default.
• W2025074020 countsByYear W20250740202014 @default.
• W2025074020 countsByYear W20250740202015 @default.
• W2025074020 countsByYear W20250740202016 @default.
• W2025074020 countsByYear W20250740202017 @default.
• W2025074020 countsByYear W20250740202019 @default.
• W2025074020 crossrefType "journal-article" @default.
• W2025074020 hasAuthorship W2025074020A5011985379 @default.
• W2025074020 hasAuthorship W2025074020A5013431817 @default.
• W2025074020 hasAuthorship W2025074020A5014022356 @default.
• W2025074020 hasAuthorship W2025074020A5018699060 @default.
• W2025074020 hasAuthorship W2025074020A5056667800 @default.
• W2025074020 hasBestOaLocation W20250740201 @default.
• W2025074020 hasConcept C106487976 @default.
• W2025074020 hasConcept C120665830 @default.
• W2025074020 hasConcept C121332964 @default.
• W2025074020 hasConcept C125277925 @default.
• W2025074020 hasConcept C147597530 @default.
• W2025074020 hasConcept C147789679 @default.
• W2025074020 hasConcept C178790620 @default.
• W2025074020 hasConcept C183152904 @default.
• W2025074020 hasConcept C183971685 @default.
• W2025074020 hasConcept C184779094 @default.
• W2025074020 hasConcept C185592680 @default.
• W2025074020 hasConcept C205463323 @default.
• W2025074020 hasConcept C2777896788 @default.
• W2025074020 hasConcept C2781442258 @default.
• W2025074020 hasConcept C32909587 @default.
• W2025074020 hasConcept C41999313 @default.
• W2025074020 hasConcept C43617362 @default.
• W2025074020 hasConcept C522602180 @default.
• W2025074020 hasConcept C54582936 @default.
• W2025074020 hasConcept C547737533 @default.
• W2025074020 hasConcept C548442186 @default.
• W2025074020 hasConcept C75473681 @default.
• W2025074020 hasConcept C8010536 @default.
• W2025074020 hasConcept C85080765 @default.
• W2025074020 hasConceptScore W2025074020C106487976 @default.

• next