Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules

2018 ◽  
Vol 42 (13) ◽  
pp. 10603-10614 ◽  
Author(s):  
Matteo De Santis ◽  
Francesca Nunzi ◽  
Diego Cesario ◽  
Leonardo Belpassi ◽  
Francesco Tarantelli ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Intermolecular Bond ◽  
System P

Conversely to the H2O–CF4 adduct, an appreciable intermolecular bond stabilization by charge transfer is operative in the H2O–CCl4 system.

Hydrogen bonding from a valence bond theory perspective: the role of covalency

2018 ◽  
Vol 20 (32) ◽  
pp. 20963-20969 ◽  
Author(s):  
Coleen T. Nemes ◽  
Croix J. Laconsay ◽  
John Morrison Galbraith
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Bond Energy ◽  
Valence Bond ◽  
Hydrogen Bond Energy ◽  
Valence Bond Theory ◽  
Bond Theory

Valence bond structures that explicitly include charge transfer account for more than 50% of hydrogen bond energy.

The role of hydrogen bonding in excited state intramolecular charge transfer

2012 ◽  
Vol 14 (25) ◽  
pp. 8775 ◽  
Author(s):  
Francis A. S. Chipem ◽  
Anasuya Mishra ◽  
G. Krishnamoorthy
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer

Nature and role of the weak intermolecular bond in enantiomeric conformations of H2O2–noble gas adducts: a chiral prototypical model

2021 ◽  
Author(s):  
Alan Leone de Araujo Oliveira ◽  
Luiz Guilherme Machado de Macedo ◽  
Yuri Alves de Oliveira Só ◽  
João Batista Lopes Martins ◽  
Fernando Pirani ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Noble Gas ◽  
Intermolecular Hydrogen Bond ◽  
Intermolecular Bond ◽  
Prototypical Model ◽  
Weak Intermolecular Hydrogen Bond

The role and nature of the weak intermolecular bond in the H2O2–noble gas enantiomeric conformations are presented. Charge transfer associated with the formation of a weak intermolecular hydrogen bond tends to stabilize the cis-barrier conformation.

One-electron bonds as intermolecular bonds for molecular complexes involving Mulliken n-electron donors and as-electron acceptors

1975 ◽  
Vol 28 (4) ◽  
pp. 881 ◽  
Author(s):  
RD Harcourt
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Electron Donor ◽  
Electron Acceptor ◽  
Molecular Complexes ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Water Dimer ◽  
Intermolecular Bond

For 1 : 1 molecular complexes involving an n-type electron donor and an aσ-type electron acceptor, it is proved that the simplest Mulliken description, ΨN ≈ Ψ(D,A)+λΨ(D+-A-), is equivalent to using a one-electron bond as the intermolecular bond between the donor (D) and the acceptor (A). The theory is illustrated with reference to the Hassel compound Me3N...I2, and the charge-transfer aspects of hydrogen bonding for the water dimer.

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

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