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Short Intramolecular Hydrogen Bonds

Permanent Link: http://ncf.sobek.ufl.edu/NCFE003788/00001

Material Information

Title: Short Intramolecular Hydrogen Bonds Derivatives of Malonaldehyde with Symmetrical Substituents
Physical Description: Book
Language: English
Creator: Hargis, Jacqueline
Publisher: New College of Florida
Place of Publication: Sarasota, Fla.
Creation Date: 2007
Publication Date: 2007

Subjects

Subjects / Keywords: Density Functional Theory
Computational Chemistry
B3LYP
Genre: bibliography   ( marcgt )
theses   ( marcgt )
government publication (state, provincial, terriorial, dependent)   ( marcgt )
born-digital   ( sobekcm )
Electronic Thesis or Dissertation

Notes

Abstract: A systematic density functional theory study of various derivatives of malonaldehyde to explore very short hydrogen bonds (roo < 2.450 A) has been carried out. Various electron withdrawing groups, including CN, NO2, and BH2, have been attached to the unique carbon. To the two equivalent carbons, a strong electron donor and/or sterically hindered substituent, including but not limited to NH2, N(CH3)2, and C(CH3)3, was used to strengthen the intramolecular hydrogen bond. Six molecules were found to have extremely short intramolecular hydrogen bonds. Three of the most interesting molecules have dimethylamines substituted on the symmetrical carbons with a strong electron withdrawing group bonded to the unique carbon. This research explored compounds that could possibly influence biological reactions. This study also displayed a systematic study of organic trends comparing electron withdrawing and donation effects and steric hindrance.
Statement of Responsibility: by Jacqueline Hargis
Thesis: Thesis (B.A.) -- New College of Florida, 2007
Electronic Access: RESTRICTED TO NCF STUDENTS, STAFF, FACULTY, AND ON-CAMPUS USE
Bibliography: Includes bibliographical references.
Source of Description: This bibliographic record is available under the Creative Commons CC0 public domain dedication. The New College of Florida, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law.
Local: Faculty Sponsor: Walstrom, Katherine

Record Information

Source Institution: New College of Florida
Holding Location: New College of Florida
Rights Management: Applicable rights reserved.
Classification: local - S.T. 2007 H27
System ID: NCFE003788:00001

Permanent Link: http://ncf.sobek.ufl.edu/NCFE003788/00001

Material Information

Title: Short Intramolecular Hydrogen Bonds Derivatives of Malonaldehyde with Symmetrical Substituents
Physical Description: Book
Language: English
Creator: Hargis, Jacqueline
Publisher: New College of Florida
Place of Publication: Sarasota, Fla.
Creation Date: 2007
Publication Date: 2007

Subjects

Subjects / Keywords: Density Functional Theory
Computational Chemistry
B3LYP
Genre: bibliography   ( marcgt )
theses   ( marcgt )
government publication (state, provincial, terriorial, dependent)   ( marcgt )
born-digital   ( sobekcm )
Electronic Thesis or Dissertation

Notes

Abstract: A systematic density functional theory study of various derivatives of malonaldehyde to explore very short hydrogen bonds (roo < 2.450 A) has been carried out. Various electron withdrawing groups, including CN, NO2, and BH2, have been attached to the unique carbon. To the two equivalent carbons, a strong electron donor and/or sterically hindered substituent, including but not limited to NH2, N(CH3)2, and C(CH3)3, was used to strengthen the intramolecular hydrogen bond. Six molecules were found to have extremely short intramolecular hydrogen bonds. Three of the most interesting molecules have dimethylamines substituted on the symmetrical carbons with a strong electron withdrawing group bonded to the unique carbon. This research explored compounds that could possibly influence biological reactions. This study also displayed a systematic study of organic trends comparing electron withdrawing and donation effects and steric hindrance.
Statement of Responsibility: by Jacqueline Hargis
Thesis: Thesis (B.A.) -- New College of Florida, 2007
Electronic Access: RESTRICTED TO NCF STUDENTS, STAFF, FACULTY, AND ON-CAMPUS USE
Bibliography: Includes bibliographical references.
Source of Description: This bibliographic record is available under the Creative Commons CC0 public domain dedication. The New College of Florida, as creator of this bibliographic record, has waived all rights to it worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law.
Local: Faculty Sponsor: Walstrom, Katherine

Record Information

Source Institution: New College of Florida
Holding Location: New College of Florida
Rights Management: Applicable rights reserved.
Classification: local - S.T. 2007 H27
System ID: NCFE003788:00001

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