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Pregled bibliografske jedinice broj: 1165035

Raman study of water deposited in solid argon matrix


Mohaček Grošev, Vlasta; Furić, Krešimir; Vujnović, Vedran
Raman study of water deposited in solid argon matrix // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 269 (2022), 120770, 9 doi:10.1016/j.saa.2021.120770 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 1165035 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Raman study of water deposited in solid argon matrix

Autori
Mohaček Grošev, Vlasta ; Furić, Krešimir ; Vujnović, Vedran

Izvornik
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1386-1425) 269 (2022); 120770, 9

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
matrix isolation ; water clusters ; water oligomers ; low temperature spectroscopy ; Raman ; vibrations ; hydrogen bonding ; molecular dynamics simulation

Sažetak
New Raman data are presented concerning H2O and D2O water aggregation in argon matrix having the ratio of number of argon atoms to water molecules close to 40:1. Experiments were conducted at temperatures from 8 K to 34 K allowing observation of OH and OD stretching vibrations of water monomers, dimers, trimers and higher multimers, as well as broad bands corresponding to solid amorphous water. Molecular dynamics simulations were performed for thirteen or sometimes fourteen water molecules dispersed among 500 argon atoms. Resulting final configurations included dimers, trimers, tetramers and pentamers, all in open chain configurations which upon optimization resulted in mostly cyclic conformations. Observed OH stretching vibrations were assigned by comparing calculated normal modes in harmonic approximation at the B3LYP/aug-cc-pVDZ and PBEPBE1/aug-cc-pVDZ level of theory with our data and previously observed bands from infrared matrix isolation studies and Raman jet cooled experiments. Raman bands assigned to water multimers in argon matrix are shifted 20 to 25 cm- 1 towards lower wavenumbers with respect to the positions of OH stretching vibrations of almost free water clusters.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekti:
EK-EFRR-KK.01.1.1.01.0001 - Potpora vrhunskim istraživanjima Centra izvrsnosti za napredne materijale i senzore (Ivanda, Mile; Jakšić, Milko; Stipčević, Mario; Kralj, Marko, EK - KK.01.1.1.01) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Sveučilište u Rijeci - Odjel za fiziku

Citiraj ovu publikaciju:

Mohaček Grošev, Vlasta; Furić, Krešimir; Vujnović, Vedran
Raman study of water deposited in solid argon matrix // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 269 (2022), 120770, 9 doi:10.1016/j.saa.2021.120770 (međunarodna recenzija, članak, znanstveni)
Mohaček Grošev, V., Furić, K. & Vujnović, V. (2022) Raman study of water deposited in solid argon matrix. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 269, 120770, 9 doi:10.1016/j.saa.2021.120770.
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Furi\'{c}, Kre\v{s}imir and Vujnovi\'{c}, Vedran}, year = {2022}, pages = {9}, DOI = {10.1016/j.saa.2021.120770}, chapter = {120770}, keywords = {matrix isolation, water clusters, water oligomers, low temperature spectroscopy, Raman, vibrations, hydrogen bonding, molecular dynamics simulation}, journal = {Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, doi = {10.1016/j.saa.2021.120770}, volume = {269}, issn = {1386-1425}, title = {Raman study of water deposited in solid argon matrix}, keyword = {matrix isolation, water clusters, water oligomers, low temperature spectroscopy, Raman, vibrations, hydrogen bonding, molecular dynamics simulation}, chapternumber = {120770} }
@article{article, author = {Moha\v{c}ek Gro\v{s}ev, Vlasta and Furi\'{c}, Kre\v{s}imir and Vujnovi\'{c}, Vedran}, year = {2022}, pages = {9}, DOI = {10.1016/j.saa.2021.120770}, chapter = {120770}, keywords = {matrix isolation, water clusters, water oligomers, low temperature spectroscopy, Raman, vibrations, hydrogen bonding, molecular dynamics simulation}, journal = {Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, doi = {10.1016/j.saa.2021.120770}, volume = {269}, issn = {1386-1425}, title = {Raman study of water deposited in solid argon matrix}, keyword = {matrix isolation, water clusters, water oligomers, low temperature spectroscopy, Raman, vibrations, hydrogen bonding, molecular dynamics simulation}, chapternumber = {120770} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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