Second‐Sphere Interaction Promoted Turn‐On Fluorescence for Selective Sensing of Organic Amines in a TbIII‐based Macrocyclic Framework

J Ren, Z Niu, Y Ye, CY Tsai, S Liu, Q Liu… - Angewandte Chemie …, 2021 - Wiley Online Library
Guided by a second‐sphere interaction strategy, we fabricated a Tb (III)‐based metal—
organic framework (MMCF‐4) for turn‐on sensing of methyl amine with ultra‐low detection …

New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

T Olenius, R Halonen, T Kurtén… - Journal of …, 2017 - Wiley Online Library
Amines are bases that originate from both anthropogenic and natural sources, and they are
recognized as candidates to participate in atmospheric aerosol particle formation together …

Atmospheric fate of monoethanolamine: enhancing new particle formation of sulfuric acid as an important removal process

HB Xie, J Elm, R Halonen, N Myllys… - … science & technology, 2017 - ACS Publications
Monoethanolamine (MEA), a potential atmospheric pollutant from the capture unit of a
leading CO2 capture technology, could be removed by participating H2SO4-based new …

Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters

H Wu, M Engsvang, Y Knattrup, J Kubecka, J Elm - ACS omega, 2023 - ACS Publications
The nucleation process leading to the formation of new atmospheric particles plays a crucial
role in aerosol research. Quantum chemical (QC) calculations can be used to model the …

Methanesulfonic acid-driven new particle formation enhanced by monoethanolamine: a computational study

J Shen, HB Xie, J Elm, F Ma, J Chen… - … Science & Technology, 2019 - ACS Publications
Amines are recognized as significant enhancing species on methanesulfonic acid (MSA)-
driven new particle formation (NPF). Monoethanolamine (MEA) has been detected in the …

Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid

M Engsvang, H Wu, Y Knattrup, J Kubečka… - Chemical Physics …, 2023 - pubs.aip.org
Atmospheric molecular cluster formation is the first stage toward aerosol particle formation.
Despite intensive progress in recent years, the relative role of different vapors and the …

Photodissociation dynamics of methylamine in the blue edge of the A-band. II. The NH2+ CH3 channel

J Cachón, P Recio, A Zanchet… - The Journal of …, 2023 - pubs.aip.org
The photodissociation dynamics leading to the C–N bond cleavage in methylamine (CH 3
NH 2) are investigated upon photoexcitation in the blue edge of the first absorption A-band …

Piperazine enhancing sulfuric acid-based new particle formation: implications for the atmospheric fate of piperazine

F Ma, HB Xie, J Elm, J Shen, J Chen… - … science & technology, 2019 - ACS Publications
Piperazine (PZ), a cyclic diamine, is one of 160 detected atmospheric amines and an
alternative solvent to the widely used monoethanolamine in post-combustion CO2 capture …

Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid–multi-base systems

Y Knattrup, J Kubečka, H Wu, F Jensen, J Elm - RSC Advances, 2024 - pubs.rsc.org
Atmospheric molecular clusters, the onset of secondary aerosol formation, are a major part
of the current uncertainty in modern climate models. Quantum chemical (QC) methods are …

The interplay between hydrogen bonding and coulombic forces in determining the structure of sulfuric acid-amine clusters

SE Waller, Y Yang, E Castracane… - The Journal of …, 2018 - ACS Publications
Acid–base cluster chemistry drives atmospheric new particle formation (NPF), but the details
of the growth mechanisms are difficult to experimentally probe. Clusters of ammonia …