Istraživanje utjecaja iona na umreženost molekula vode FT-IR spektroskopijom

master's thesis

• Title (english): Investigation of the influence of ions on the crosslinking of water molecules by FT-IR spectrscopy
• Author: Marija Butumović
• Mentor: Danijela Bakarić (mentor)
• Committee member: Snežana Miljanić (predsjednik povjerenstva)
• Committee member: Željka Soldin (član povjerenstva)
• Committee member: Đani Škalamera (član povjerenstva)
• Committee member: Adriana Kenđel (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Chemistry); Zagreb
• Defense date and country: 2021-12-03, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Chemistry

Abstract

Molekula vode (H2O) s dva donorska (−OH) i dva akceptorska centra (dva slobodna
elektronska para na O-atomu) sudjeluje u stvaranju mreže vodikovih veza (engl. hydrogen
bond, HB) pa su njena struktura i dinamika funkcija zakočenih rotacija molekula vode
(libracija). Budući da je signal libracija molekula vode vidljiv u srednjem infracrvenom (engl.
mid-infrared, MIR) području, temperaturno-ovisnom FT-IR spektroskopijom okarakteriziran
je utjecaj jednovalentnih aniona nekoliko natrijevih i kalijevih soli na HB mrežu.
Univarijantnim pristupom analizirana je vrpca s maksimumom pri oko 2130 cm−1
nastala kao
rezultat kombinacijskog prijelaza libracija molekula vode (ρH2O) i njihovog linearnog
svijanja (δHOH). Ovisno o promjeni položaja maksimuma spomenute vrpce procijenjen je
utjecaj pojedinih aniona na jačanje, odnosno slabljenje HB mreže, te je preispitana podjela
aniona s obzirom na to strukturiraju li (engl. kosmotropic) ili destrukturiraju (engl.
chaotropic) HB mrežu.

Abstract (english)

Water molecule (H2O) with two donating (−OH) and two accepting centers (free electron
pairs on the O-atom) participates in hydrogen bond (HB) network formation, so its structure
and dynamics are functions of the inhibited rotations of water molecules (librations). Since
the libration signal of water molecule is visible in the mid-infrared (MIR) region,
temperature-dependent FT-IR spectroscopy is used to characterize the effect of monovalent
anions of several sodium and potassium salts on the HB network. The band with a maximum
at about 2130 cm−1
, which originates from the combination transition of water librations
(ρH2O) and their linear bending (δHOH), was analyzed in univariate fashion. Depending on
the change in the band maximum the influence of individual anions on the strengthening or
weakening of the HB network was estimated, and the division of anions on whether they
structure (cosmotropic) or destructe (chaotropic) HB network was examined.

• Keywords: FT-IR; Hofmeisterov niz; kombinacijska vrpca; soli; voda; vodikove veze
• Keywords (english): FT-IR; Hofmeister series; combination band; salts; water; hydrogen bonds
• Language: croatian
• URN:NBN: urn:nbn:hr:217:770219
• Project: Number: UIP-2020-02-7669; Title: Model demijelinizacije na molekulskoj skali pri fiziološkim i patološkim uvjetima; Title: Model of demyelination on a molecular scale at physiological and pathological conditions; Acronym: DEMYMOLSCALE; Leader: Danijela Bakarić; Jurisdiction: Croatia; Funder: HRZZ; Funding stream: UIP
• Study programme: Title: Graduate university studies in chemistry; specializations in: Research programme; Course: Research programme; Study programme type: university; Study level: graduate; Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access; Embargo expiration date: 2023-12-03
• Created on: 2021-12-07 13:49:51