Hydration motifs of ammonium bisulfate clusters of relevance to atmospheric new particle formation

2019 ◽  
Vol 217 ◽  
pp. 47-66 ◽  
Author(s):  
Yi Yang ◽  
Christopher J. Johnson
Keyword(s):  
Quantum Chemical Calculations ◽  
Vibrational Spectroscopy ◽  
Quantum Chemical ◽  
Particle Formation ◽  
New Particle Formation ◽  
Binding Motifs ◽  
Ammonium Bisulfate

We have analyzed the binding motifs of water bound to a prototypical cluster containing three ammonium cations and two bisulfate anions using mass-selective vibrational spectroscopy and quantum chemical calculations.

scholarly journals New insights into nocturnal nucleation

2012 ◽  
Vol 12 (9) ◽  
pp. 4297-4312 ◽  
Author(s):  
I. K. Ortega ◽  
T. Suni ◽  
M. Boy ◽  
T. Grönholm ◽  
H. E. Manninen ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Aerosol Particles ◽  
Particle Formation ◽  
Nucleation And Growth ◽  
Oxidation Products ◽  
New Particle Formation ◽  
Aerosol Dynamics ◽  
Different Types ◽  
Consistent Manner ◽  
Dynamics Models

Abstract. Formation of new aerosol particles by nucleation and growth is a significant source of aerosols in the atmosphere. New particle formation events usually take place during daytime, but in some locations they have been observed also at night. In the present study we have combined chamber experiments, quantum chemical calculations and aerosol dynamics models to study nocturnal new particle formation. All our approaches demonstrate, in a consistent manner, that the oxidation products of monoterpenes play an important role in nocturnal nucleation events. By varying the conditions in our chamber experiments, we were able to reproduce the very different types of nocturnal events observed earlier in the atmosphere. The exact strength, duration and shape of the events appears to be sensitive to the type and concentration of reacting monoterpenes, as well as the extent to which the monoterpenes are exposed to ozone and potentially other atmospheric oxidants.

scholarly journals New insights into nocturnal nucleation

2011 ◽  
Vol 11 (11) ◽  
pp. 31323-31362 ◽  
Author(s):  
I. K. Ortega ◽  
T. Suni ◽  
M. Boy ◽  
T. Grönholm ◽  
H. E. Manninen ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Aerosol Particles ◽  
Particle Formation ◽  
Nucleation And Growth ◽  
Oxidation Products ◽  
New Particle Formation ◽  
Aerosol Dynamics ◽  
Different Types ◽  
Consistent Manner ◽  
Dynamics Models

Abstract. Formation of new aerosol particles by nucleation and growth is a significant source of aerosols in the atmosphere. New particle formation events usually take place during daytime, but in some locations they have been observed also at night. In the present study we have combined chamber experiments, quantum chemical calculations and aerosol dynamics models to study nocturnal new particle formation. All our approaches demonstrate, in a consistent manner, that the oxidation products of monoterpenes play an important role in nocturnal nucleation events. By varying the conditions in our chamber experiments, we were able to reproduce the very different types of nocturnal events observed earlier in the atmosphere. The exact strength, duration and shape of the events appears to be sensitive to the type and concentration of reacting monoterpenes, as well as the extent to which the monoterpenes are exposed to ozone and potentially other atmospheric oxidants.

Photochromic reaction in 3H-naphthopyrans studied by vibrational spectroscopy and quantum chemical calculations

2019 ◽  
Vol 21 (22) ◽  
pp. 11861-11870 ◽  
Author(s):  
Sabina Brazevic ◽  
Stanislaw Nizinski ◽  
Rafał Szabla ◽  
Michał F. Rode ◽  
Gotard Burdzinski
Keyword(s):  
Ir Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Vibrational Spectroscopy ◽  
Quantum Chemical ◽  
Selective Detection ◽  
Time Resolved ◽  
Photochromic Reaction

Time resolved mid-IR spectroscopy facilitates selective detection of transoid-cis and transoid-trans species.

New concepts of the structures of 11-vertex carba-closo-boranes based on the data of vibrational spectroscopy and quantum-chemical calculations

2004 ◽  
Vol 53 (4) ◽  
pp. 944-945 ◽  
Author(s):  
E. G. Kononova ◽  
L. A. Leites ◽  
S. S. Bukalov ◽  
A. V. Zabula ◽  
I. V. Pisareva ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Vibrational Spectroscopy ◽  
Quantum Chemical ◽  
New Concepts
Sign in / Sign up

Export Citation Format

Share Document