Vibrational spectroscopy of bare and solvated ionic complexes of biological relevance

NC Polfer, J Oomens - Mass spectrometry reviews, 2009 - Wiley Online Library
The low density of ions in mass spectrometers generally precludes direct infrared (IR)
absorption measurements. The IR spectrum of an ion can nonetheless be obtained by …

Cold physics and chemistry: Collisions, ionization and reactions inside helium nanodroplets close to zero K

A Mauracher, O Echt, AM Ellis, S Yang, DK Bohme… - Physics Reports, 2018 - Elsevier
This review provides a comprehensive overview of the applications of helium nanodroplets
in the study of ensembles of atoms and molecules, ie clusters and complexes. These …

Hydrogen-bonded OH stretching modes of methanol clusters: A combined IR and Raman isotopomer study

RW Larsen, P Zielke, MA Suhm - The Journal of chemical physics, 2007 - pubs.aip.org
A comprehensive study of the OH and OD stretching fundamentals in clusters of methanol
and its isotopomers CH 3 OD⁠, CD 3 OH⁠, and CD 3 OD provides detailed insights into the …

Calculation of vibrational transition frequencies and intensities in water dimer: Comparison of different vibrational approaches

HG Kjaergaard, AL Garden, GM Chaban… - The Journal of …, 2008 - ACS Publications
We have calculated frequencies and intensities of fundamental and overtone vibrational
transitions in water and water dimer with use of different vibrational methods. We have …

Vibrational spectroscopy of the water dimer at jet-cooled and atmospheric temperatures

E Vogt, HG Kjaergaard - Annual Review of Physical Chemistry, 2022 - annualreviews.org
The vibrational spectroscopy of the water dimer provides an understanding of basic
hydrogen bonding in water clusters, and with about one water dimer for every 1,000 water …

Spectrum and infrared intensities of OH-stretching bands of water dimers

K Kuyanov-Prozument, MY Choi… - The Journal of chemical …, 2010 - pubs.aip.org
Water dimers have been assembled in He droplets and studied by infrared laser depletion
spectroscopy. All four OH stretching bands of the dimer have been identified in the spectral …

Effect of hydrogen bonding on the infrared absorption intensity of OH stretch vibrations

B Athokpam, SG Ramesh, RH McKenzie - Chemical Physics, 2017 - Elsevier
We consider how the infrared intensity of a hydrogen-bonded OH stretch varies from weak to
strong H-bonds using a theoretical model. We obtain trends for the fundamental and …

Infrared spectroscopy in superfluid helium droplets

D Verma, RMP Tanyag, SMO O'Connell… - … in Physics: X, 2019 - Taylor & Francis
For more than two decades, encapsulation in superfluid helium nanodroplets has served as
a reliable technique for probing the structure and dynamics of molecules and clusters at a …

Benchmark Structures and Harmonic Vibrational Frequencies Near the CCSD(T) Complete Basis Set Limit for Small Water Clusters: (H2O)n = 2, 3, 4, 5, 6

JC Howard, GS Tschumper - Journal of chemical theory and …, 2015 - ACS Publications
A series of (H2O) n clusters ranging from the dimer to the hexamer have been characterized
with the CCSD (T) and the 2-body: Many-body CCSD (T): MP2 methods near the complete …

Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio

A Malloum, JJ Fifen, Z Dhaouadi, SGN Engo… - Physical Chemistry …, 2015 - pubs.rsc.org
A hydrogen bond network in ammonia clusters plays a key role in understanding the
properties of species embedded in ammonia. This network is dictated by the structures of …