On the nature of blueshifting hydrogen bonds

Chemistry - A European Journal

Volumn 20, Issue 27, 2014, Pages 8444-8452

  Mo, Yirong ^a   Wang, Changwei ^b   Guan, Liangyu ^a   Braïda, Benoît ^c,d   Hiberty, Philippe C ^e   Wu, Wei ^b  

^a WESTERN MICHIGAN UNIVERSITY   (United States)

^b XIAMEN UNIVERSITY   (China)

^c SORBONNE UNIVERSITÉ   (France)

^d LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^e UNIVERSITÉ PARIS SUD   (France)

Author keywords

density functional calculations; electron transfer; hydrogen bonds; hyperconjugation; vibrational spectroscopy

Indexed keywords

BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTROSTATIC SEPARATORS; VIBRATIONAL SPECTROSCOPY;

BLUE SHIFTING HYDROGEN BONDS; ELECTRON DELOCALIZATION; ELECTRON TRANSFER; ENERGY COMPONENTS; FREQUENCY CHANGES; HYPERCONJUGATION; REDSHIFTING; SPECTRAL CHANGE;

HYDROGEN BONDS;

EID: 84903190499     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201402189     Document Type: Article

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